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Lipids and Lipid Derivatives

Nonpolar, water-insoluble biomolecules for energy storage, signaling, and membrane structures; include fatty acid conjugates, prenol lipids, fatty alcohols, steroids, fatty acid esters, cylcerolipids, fatty alcohol esters, and fatty acyl thioesters.
Fatty acid conjugates (3,187)
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Fatty alcohols (782)
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Glycerolipids (349)
Sphingolipids (272)
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Fatty acyl thioesters (16)
Fatty acyl glycosides (4)
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631 – 645 of 9,140 results
631
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1-Octen-3-ol, 98%

CAS: 3391-86-4 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00004589 InChI Key: VSMOENVRRABVKN-UHFFFAOYSA-N Synonym: 1-octen-3-ol,vinyl amyl carbinol,1-vinylhexanol,3-hydroxy-1-octene,amyl vinyl carbinol,mushroom alcohol,matsutake alcohol,vinyl hexanol,pentyl vinyl carbinol,matsuica alcohol PubChem CID: 18827 ChEBI: CHEBI:34118 IUPAC Name: oct-1-en-3-ol SMILES: CCCCCC(C=C)O

PubChem CID 18827
CAS 3391-86-4
Molecular Weight (g/mol) 128.22
ChEBI CHEBI:34118
MDL Number MFCD00004589
SMILES CCCCCC(C=C)O
Synonym 1-octen-3-ol,vinyl amyl carbinol,1-vinylhexanol,3-hydroxy-1-octene,amyl vinyl carbinol,mushroom alcohol,matsutake alcohol,vinyl hexanol,pentyl vinyl carbinol,matsuica alcohol
IUPAC Name oct-1-en-3-ol
InChI Key VSMOENVRRABVKN-UHFFFAOYSA-N
Molecular Formula C8H16O
632
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D(+)-Carvone, 96%, natural

CAS: 2244-16-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00062997 InChI Key: ULDHMXUKGWMISQ-VIFPVBQESA-N Synonym: d-carvone,+-carvone,s-+-carvone,s-carvone,s-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,+-s-carvone,carvone, +,d +-carvone,carvol,s-+-p-mentha-6,8-dien-2-one PubChem CID: 16724 ChEBI: CHEBI:15399 IUPAC Name: (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one SMILES: CC1=CCC(CC1=O)C(=C)C

PubChem CID 16724
CAS 2244-16-8
Molecular Weight (g/mol) 150.22
ChEBI CHEBI:15399
MDL Number MFCD00062997
SMILES CC1=CCC(CC1=O)C(=C)C
Synonym d-carvone,+-carvone,s-+-carvone,s-carvone,s-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,+-s-carvone,carvone, +,d +-carvone,carvol,s-+-p-mentha-6,8-dien-2-one
IUPAC Name (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
InChI Key ULDHMXUKGWMISQ-VIFPVBQESA-N
Molecular Formula C10H14O
633
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2,4,6-Triisopropylbenzoyl chloride, 98+%

CAS: 57199-00-5 Molecular Formula: C16H23ClO Molecular Weight (g/mol): 266.809 MDL Number: MFCD00015030 InChI Key: OSKNTKJPGKHDHV-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzoyl chloride,benzoyl chloride, 2,4,6-tris 1-methylethyl,acmc-20aoev,2,4,6-triiso-propylbenzoyl chloride,2,4,6-tri propan-2-yl benzoyl chloride,benzoyl chloride,2,4,6-tris 1-methylethyl,2,4,6-tris 1-methylethyl benzoic acid chloride PubChem CID: 92697 IUPAC Name: 2,4,6-tri(propan-2-yl)benzoyl chloride SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)Cl)C(C)C

PubChem CID 92697
CAS 57199-00-5
Molecular Weight (g/mol) 266.809
MDL Number MFCD00015030
SMILES CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)Cl)C(C)C
Synonym 2,4,6-triisopropylbenzoyl chloride,benzoyl chloride, 2,4,6-tris 1-methylethyl,acmc-20aoev,2,4,6-triiso-propylbenzoyl chloride,2,4,6-tri propan-2-yl benzoyl chloride,benzoyl chloride,2,4,6-tris 1-methylethyl,2,4,6-tris 1-methylethyl benzoic acid chloride
IUPAC Name 2,4,6-tri(propan-2-yl)benzoyl chloride
InChI Key OSKNTKJPGKHDHV-UHFFFAOYSA-N
Molecular Formula C16H23ClO
634
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(+/-)-Camphor-10-sulfonic acid, 98%

CAS: 8-2-5872 Molecular Formula: C10H16O4S Molecular Weight (g/mol): 232.29 MDL Number: MFCD00074827 InChI Key: MIOPJNTWMNEORI-UHFFFAOYNA-N Synonym: reychler's acid,camphorsulfonic acid,d-camphorsulfonic acid,camphersulfosaeure,--10-camphorsulfonic acid,2-oxobornane-10-sulphonic acid,d-10-camphorsulfonic acid,7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,l-camphor-10-sulfonic acid,+-10-camphorsulfonic acid PubChem CID: 18462 ChEBI: CHEBI:55379 IUPAC Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C

PubChem CID 18462
CAS 8-2-5872
Molecular Weight (g/mol) 232.29
ChEBI CHEBI:55379
MDL Number MFCD00074827
SMILES CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C
Synonym reychler's acid,camphorsulfonic acid,d-camphorsulfonic acid,camphersulfosaeure,--10-camphorsulfonic acid,2-oxobornane-10-sulphonic acid,d-10-camphorsulfonic acid,7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,l-camphor-10-sulfonic acid,+-10-camphorsulfonic acid
IUPAC Name (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid
InChI Key MIOPJNTWMNEORI-UHFFFAOYNA-N
Molecular Formula C10H16O4S
635

2-deoxy-D-galactopyranose, MP Biomedicals™

CAS: 1949-89-9 Molecular Formula: C6H12O5 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00014649 InChI Key: PMMURAAUARKVCB-ONLQHTGVNA-N Synonym: 2-deoxy-d-galactose,3r,4r,5r-3,4,5,6-tetrahydroxyhexanal,d-lyxo-hexose, 2-deoxy,unii-531k2iok5q,2-deoxy-d-lyxo-hexose,lyxo-hexose, 2-deoxy,ksc179c4l PubChem CID: 102191 ChEBI: CHEBI:27411 SMILES: OC[C@H]1OC(O)C[C@@H](O)[C@H]1O

PubChem CID 102191
CAS 1949-89-9
Molecular Weight (g/mol) 164.16
ChEBI CHEBI:27411
MDL Number MFCD00014649
SMILES OC[C@H]1OC(O)C[C@@H](O)[C@H]1O
Synonym 2-deoxy-d-galactose,3r,4r,5r-3,4,5,6-tetrahydroxyhexanal,d-lyxo-hexose, 2-deoxy,unii-531k2iok5q,2-deoxy-d-lyxo-hexose,lyxo-hexose, 2-deoxy,ksc179c4l
InChI Key PMMURAAUARKVCB-ONLQHTGVNA-N
Molecular Formula C6H12O5
636

Palmitoleic Acid Methyl Ester, MP Biomedicals™

CAS: 1120-25-8 Molecular Formula: C17H32O2 Molecular Weight (g/mol): 268.44 MDL Number: MFCD00042911 InChI Key: IZFGRAGOVZCUFB-HJWRWDBZSA-N Synonym: methyl palmitoleate,z-methyl hexadec-9-enoate,methyl z-hexadec-9-enoate,methyl palmitoleinate,unii-35695qdb9f,methyl 9z-hexadec-9-enoate,9-hexadecenoic acid, methyl ester, z,methyl cis-9-hexadecenoate,methyl z-9-hexadecenoate,methyl cis-hexadec-9-enoate PubChem CID: 643801 ChEBI: CHEBI:84156 IUPAC Name: methyl (9Z)-hexadec-9-enoate SMILES: CCCCCC\C=C/CCCCCCCC(=O)OC

PubChem CID 643801
CAS 1120-25-8
Molecular Weight (g/mol) 268.44
ChEBI CHEBI:84156
MDL Number MFCD00042911
SMILES CCCCCC\C=C/CCCCCCCC(=O)OC
Synonym methyl palmitoleate,z-methyl hexadec-9-enoate,methyl z-hexadec-9-enoate,methyl palmitoleinate,unii-35695qdb9f,methyl 9z-hexadec-9-enoate,9-hexadecenoic acid, methyl ester, z,methyl cis-9-hexadecenoate,methyl z-9-hexadecenoate,methyl cis-hexadec-9-enoate
IUPAC Name methyl (9Z)-hexadec-9-enoate
InChI Key IZFGRAGOVZCUFB-HJWRWDBZSA-N
Molecular Formula C17H32O2
637
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2,4,6-Triisopropylbenzoic acid, 97%

CAS: 49623-71-4 Molecular Formula: C16H24O2 Molecular Weight (g/mol): 248.366 MDL Number: MFCD00015031 InChI Key: ULVHAZFBJJXIDO-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzoic acid,2,4,6-triisopropyl benzoic acid,2,4,6-tris 1-methylethyl benzoic acid,2,4,6-tri propan-2-yl benzoic acid,benzoic acid,2,4,6-tris 1-methylethyl,benzoic acid, 2,4,6-tris 1-methylethyl,2,4,6-tris methylethyl benzoic acid,acmc-20aoew,pubchem7877 PubChem CID: 96214 IUPAC Name: 2,4,6-tri(propan-2-yl)benzoic acid SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O)C(C)C

PubChem CID 96214
CAS 49623-71-4
Molecular Weight (g/mol) 248.366
MDL Number MFCD00015031
SMILES CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)O)C(C)C
Synonym 2,4,6-triisopropylbenzoic acid,2,4,6-triisopropyl benzoic acid,2,4,6-tris 1-methylethyl benzoic acid,2,4,6-tri propan-2-yl benzoic acid,benzoic acid,2,4,6-tris 1-methylethyl,benzoic acid, 2,4,6-tris 1-methylethyl,2,4,6-tris methylethyl benzoic acid,acmc-20aoew,pubchem7877
IUPAC Name 2,4,6-tri(propan-2-yl)benzoic acid
InChI Key ULVHAZFBJJXIDO-UHFFFAOYSA-N
Molecular Formula C16H24O2
638

(+)-Nootkatone, crystalline, 98+%

CAS: 4674-50-4 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00036591 InChI Key: WTOYNNBCKUYIKC-SLEUVZQESA-N Synonym: unii-zms1vjk5hy,zms1vjk5hy,nootkatone,-,+-nootkatone, crystalline,2 3h-naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-1-methylethenyl-, 4s,4ar,6s,unii-3k3okv2a5a component,4s,6s,4ar-4,4a-dimethyl-6-1-methylvinyl-3,4,5,6,7,8,4a-heptahydronaphthale n-2-one PubChem CID: 7567181 IUPAC Name: (4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one SMILES: CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C

PubChem CID 7567181
CAS 4674-50-4
Molecular Weight (g/mol) 218.34
MDL Number MFCD00036591
SMILES CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C
Synonym unii-zms1vjk5hy,zms1vjk5hy,nootkatone,-,+-nootkatone, crystalline,2 3h-naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-1-methylethenyl-, 4s,4ar,6s,unii-3k3okv2a5a component,4s,6s,4ar-4,4a-dimethyl-6-1-methylvinyl-3,4,5,6,7,8,4a-heptahydronaphthale n-2-one
IUPAC Name (4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
InChI Key WTOYNNBCKUYIKC-SLEUVZQESA-N
Molecular Formula C15H22O
639
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trans-2-Octen-1-ol, 97%

CAS: 18409-17-1 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00014057 InChI Key: AYQPVPFZWIQERS-VOTSOKGWSA-N Synonym: trans-2-octen-1-ol,e-oct-2-en-1-ol,e-2-octen-1-ol,2-octenol,2-octen-1-ol, e,2-octen-1-ol,2e-octen-1-ol,unii-k54st7v77u,2-octen-1-ol, 2e,2e-oct-2-en-1-ol PubChem CID: 5318599 IUPAC Name: (E)-oct-2-en-1-ol SMILES: CCCCCC=CCO

PubChem CID 5318599
CAS 18409-17-1
Molecular Weight (g/mol) 128.215
MDL Number MFCD00014057
SMILES CCCCCC=CCO
Synonym trans-2-octen-1-ol,e-oct-2-en-1-ol,e-2-octen-1-ol,2-octenol,2-octen-1-ol, e,2-octen-1-ol,2e-octen-1-ol,unii-k54st7v77u,2-octen-1-ol, 2e,2e-oct-2-en-1-ol
IUPAC Name (E)-oct-2-en-1-ol
InChI Key AYQPVPFZWIQERS-VOTSOKGWSA-N
Molecular Formula C8H16O
640
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Castor Oil, Sulfated, Spectrum™ Chemical
SDP

CAS: 8002-33-3

CAS 8002-33-3
641

Tricaprin, MP Biomedicals™

CAS: 621-71-6 Molecular Formula: C33H62O6 Molecular Weight (g/mol): 554.853 InChI Key: LADGBHLMCUINGV-UHFFFAOYSA-N Synonym: tricaprin,tridecanoin,glycerol tricaprate,glycerol tridecanoate,decanoin, tri,tricapric glyceride,glycerol tricaprin,1,2,3-tridecanoylglycerol,capric acid triglyceride,glyceryl tricaprate PubChem CID: 69310 ChEBI: CHEBI:77388 IUPAC Name: 2,3-di(decanoyloxy)propyl decanoate SMILES: CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

PubChem CID 69310
CAS 621-71-6
Molecular Weight (g/mol) 554.853
ChEBI CHEBI:77388
SMILES CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
Synonym tricaprin,tridecanoin,glycerol tricaprate,glycerol tridecanoate,decanoin, tri,tricapric glyceride,glycerol tricaprin,1,2,3-tridecanoylglycerol,capric acid triglyceride,glyceryl tricaprate
IUPAC Name 2,3-di(decanoyloxy)propyl decanoate
InChI Key LADGBHLMCUINGV-UHFFFAOYSA-N
Molecular Formula C33H62O6
642

Trilaurin

CAS: 538-24-9 Molecular Formula: C39H74O6 Molecular Weight (g/mol): 639.015 MDL Number: MFCD00026559 InChI Key: VMPHSYLJUKZBJJ-UHFFFAOYSA-N Synonym: trilaurin,glycerol trilaurate,glyceryl tridodecanoate,glyceryl trilaurate,glycerin trilaurate,lauric acid triglyceride,tridodecanoin,lauric acid triglycerin ester,trilauroylglycerol,laurin, tri PubChem CID: 10851 ChEBI: CHEBI:77389 IUPAC Name: 2,3-di(dodecanoyloxy)propyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

PubChem CID 10851
CAS 538-24-9
Molecular Weight (g/mol) 639.015
ChEBI CHEBI:77389
MDL Number MFCD00026559
SMILES CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
Synonym trilaurin,glycerol trilaurate,glyceryl tridodecanoate,glyceryl trilaurate,glycerin trilaurate,lauric acid triglyceride,tridodecanoin,lauric acid triglycerin ester,trilauroylglycerol,laurin, tri
IUPAC Name 2,3-di(dodecanoyloxy)propyl dodecanoate
InChI Key VMPHSYLJUKZBJJ-UHFFFAOYSA-N
Molecular Formula C39H74O6
643
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Tripalmitin, 99%

CAS: 555-44-2 Molecular Formula: C51H98O6 Molecular Weight (g/mol): 807.33 MDL Number: MFCD00008995 InChI Key: PVNIQBQSYATKKL-UHFFFAOYSA-N Synonym: tripalmitin,glycerol tripalmitate,tripalmitoylglycerol,glyceryl tripalmitate,palmitic triglyceride,tripalmitate,triglyceryl palmitate,barolub,dynasan 116,propane-1,2,3-triyl tripalmitate PubChem CID: 11147 ChEBI: CHEBI:77393 IUPAC Name: 2,3-di(hexadecanoyloxy)propyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

PubChem CID 11147
CAS 555-44-2
Molecular Weight (g/mol) 807.33
ChEBI CHEBI:77393
MDL Number MFCD00008995
SMILES CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
Synonym tripalmitin,glycerol tripalmitate,tripalmitoylglycerol,glyceryl tripalmitate,palmitic triglyceride,tripalmitate,triglyceryl palmitate,barolub,dynasan 116,propane-1,2,3-triyl tripalmitate
IUPAC Name 2,3-di(hexadecanoyloxy)propyl hexadecanoate
InChI Key PVNIQBQSYATKKL-UHFFFAOYSA-N
Molecular Formula C51H98O6
644
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Trilaurin, 98%

CAS: 538-24-9 Molecular Formula: C39H74O6 Molecular Weight (g/mol): 639.01 MDL Number: MFCD00026559 InChI Key: VMPHSYLJUKZBJJ-UHFFFAOYSA-N Synonym: trilaurin,glycerol trilaurate,glyceryl tridodecanoate,glyceryl trilaurate,glycerin trilaurate,lauric acid triglyceride,tridodecanoin,lauric acid triglycerin ester,trilauroylglycerol,laurin, tri PubChem CID: 10851 ChEBI: CHEBI:77389 IUPAC Name: 2,3-di(dodecanoyloxy)propyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

PubChem CID 10851
CAS 538-24-9
Molecular Weight (g/mol) 639.01
ChEBI CHEBI:77389
MDL Number MFCD00026559
SMILES CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
Synonym trilaurin,glycerol trilaurate,glyceryl tridodecanoate,glyceryl trilaurate,glycerin trilaurate,lauric acid triglyceride,tridodecanoin,lauric acid triglycerin ester,trilauroylglycerol,laurin, tri
IUPAC Name 2,3-di(dodecanoyloxy)propyl dodecanoate
InChI Key VMPHSYLJUKZBJJ-UHFFFAOYSA-N
Molecular Formula C39H74O6
645

β-Escin, 92 to 95%, MP Biomedicals™

CAS: 11072-93-8 Molecular Formula: C110H172O48 Molecular Weight (g/mol): 2262.54 MDL Number: MFCD00076054 InChI Key: YFESOSRPNPYODN-LNXBMLMBSA-N Synonym: aescin,flogencyl,beta escin,2s,3s,4s,5r,6r-6-3s,4s,6ar,6bs,8r,8ar,9r,10r,14br-9-acetyloxy-8-hydroxy-4,8a-bis hydroxymethyl-4,6a,6b,11,11,14b-hexamethyl-10-2z-2-methylbut-2-enoyl oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl oxy-4-hydroxy-3,5-bis 2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy oxane-2-carboxylic acid PubChem CID: 16211024 IUPAC Name: (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid; (2S,3S,4S,5R,6R)-6-{[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2E)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid SMILES: C\C=C(\C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C.C\C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)C2CC1(C)C

PubChem CID 16211024
CAS 11072-93-8
Molecular Weight (g/mol) 2262.54
MDL Number MFCD00076054
SMILES C\C=C(\C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C.C\C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)C2CC1(C)C
Synonym aescin,flogencyl,beta escin,2s,3s,4s,5r,6r-6-3s,4s,6ar,6bs,8r,8ar,9r,10r,14br-9-acetyloxy-8-hydroxy-4,8a-bis hydroxymethyl-4,6a,6b,11,11,14b-hexamethyl-10-2z-2-methylbut-2-enoyl oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl oxy-4-hydroxy-3,5-bis 2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy oxane-2-carboxylic acid
IUPAC Name (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid; (2S,3S,4S,5R,6R)-6-{[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-(acetyloxy)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2E)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid
InChI Key YFESOSRPNPYODN-LNXBMLMBSA-N
Molecular Formula C110H172O48