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Prenol lipids

Synthesized from the 5-carbon precursors isopentenyl diphosphate and dimethylallyl diphosphate; includes the carotenoids, which are precursors of vitamin A and also possess antioxidant effects.
Monoterpenoids (1,167)
Quinone and hydroquinone lipids (710)
Diterpenoids (268)
Triterpenoids (230)
Sesquiterpenoids (86)
Terpene lactones (34)
Isoprenoid phosphates (2)

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211 – 225 of 2,034 results
211

(1S)-(-)-alpha-Pinene 97.0+%, TCI America™

CAS: 7785-26-4 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.238 MDL Number: MFCD00064145 InChI Key: GRWFGVWFFZKLTI-IUCAKERBSA-N Synonym: --alpha-pinene,1s,5s-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1s---alpha-pinene,unii-tzr3gm95pr,dl-alpha-pinene,alpha-pinene,-,1s,5s-alpha-pinene,tzr3gm95pr,1s,5s-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1s,5s PubChem CID: 440968 ChEBI: CHEBI:28660 IUPAC Name: (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene SMILES: CC1=CCC2CC1C2(C)C

PubChem CID 440968
CAS 7785-26-4
Molecular Weight (g/mol) 136.238
ChEBI CHEBI:28660
MDL Number MFCD00064145
SMILES CC1=CCC2CC1C2(C)C
Synonym --alpha-pinene,1s,5s-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1s---alpha-pinene,unii-tzr3gm95pr,dl-alpha-pinene,alpha-pinene,-,1s,5s-alpha-pinene,tzr3gm95pr,1s,5s-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1s,5s
IUPAC Name (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
InChI Key GRWFGVWFFZKLTI-IUCAKERBSA-N
Molecular Formula C10H16
212

(-)-Menthyl Succinate 98.0+%, TCI America™

CAS: 77341-67-4 Molecular Formula: C14H24O4 Molecular Weight (g/mol): 256.342 MDL Number: MFCD23135646 InChI Key: BLILOGGUTRWFNI-GRYCIOLGSA-N Synonym: Succinic Acid (-)-Menthyl Ester, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl Succinate, Succinic Acid (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl Ester PubChem CID: 11219061 IUPAC Name: 4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxobutanoic acid SMILES: CC1CCC(C(C1)OC(=O)CCC(=O)O)C(C)C

PubChem CID 11219061
CAS 77341-67-4
Molecular Weight (g/mol) 256.342
MDL Number MFCD23135646
SMILES CC1CCC(C(C1)OC(=O)CCC(=O)O)C(C)C
Synonym Succinic Acid (-)-Menthyl Ester, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl Succinate, Succinic Acid (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl Ester
IUPAC Name 4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxobutanoic acid
InChI Key BLILOGGUTRWFNI-GRYCIOLGSA-N
Molecular Formula C14H24O4
213

Glycyrrhetic Acid 97.0+%, TCI America™

CAS: 471-53-4 Molecular Formula: C30H46O4 Molecular Weight (g/mol): 470.69 MDL Number: MFCD00003706,MFCD00066716 InChI Key: MPDGHEJMBKOTSU-YKLVYJNSSA-N Synonym: enoxolone,glycyrrhetinic acid,uralenic acid,glycyrrhetic acid,18-beta-glycyrrhetinic acid,glycyrrhetin,arthrodont,jintan,18beta-glycyrrhetinic acid,rhetinic acid PubChem CID: 10114 ChEBI: CHEBI:30853 IUPAC Name: (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid SMILES: CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O

PubChem CID 10114
CAS 471-53-4
Molecular Weight (g/mol) 470.69
ChEBI CHEBI:30853
MDL Number MFCD00003706,MFCD00066716
SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
Synonym enoxolone,glycyrrhetinic acid,uralenic acid,glycyrrhetic acid,18-beta-glycyrrhetinic acid,glycyrrhetin,arthrodont,jintan,18beta-glycyrrhetinic acid,rhetinic acid
IUPAC Name (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
InChI Key MPDGHEJMBKOTSU-YKLVYJNSSA-N
Molecular Formula C30H46O4
214

(+/-)-Camphene (contains ca. 20% Tricyclene) 78.0+%, TCI America™

CAS: 79-92-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.238 MDL Number: MFCD00066603 InChI Key: CRPUJAZIXJMDBK-UHFFFAOYSA-N Synonym: camphene,comphene,2,2-dimethyl-3-methylenenorbornane,3,3-dimethyl-2-methylenenorbornane,3,3-dimethyl-2-methylenenorcamphane,+/--camphene,2,2-dimethyl-3-methylenebicyclo 2.2.1 heptane,2,2-dimethyl-3-methylidenebicyclo 2.2.1 heptane,bicyclo 2.2.1 heptane, 2,2-dimethyl-3-methylene,fema no. 2229 PubChem CID: 6616 ChEBI: CHEBI:3830 IUPAC Name: 3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane SMILES: CC1(C2CCC(C2)C1=C)C

PubChem CID 6616
CAS 79-92-5
Molecular Weight (g/mol) 136.238
ChEBI CHEBI:3830
MDL Number MFCD00066603
SMILES CC1(C2CCC(C2)C1=C)C
Synonym camphene,comphene,2,2-dimethyl-3-methylenenorbornane,3,3-dimethyl-2-methylenenorbornane,3,3-dimethyl-2-methylenenorcamphane,+/--camphene,2,2-dimethyl-3-methylenebicyclo 2.2.1 heptane,2,2-dimethyl-3-methylidenebicyclo 2.2.1 heptane,bicyclo 2.2.1 heptane, 2,2-dimethyl-3-methylene,fema no. 2229
IUPAC Name 3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane
InChI Key CRPUJAZIXJMDBK-UHFFFAOYSA-N
Molecular Formula C10H16
215

D-alpha-Tocopherol Succinate 97.0+%, TCI America™

CAS: 4345-03-3 Molecular Formula: C33H54O5 Molecular Weight (g/mol): 530.79 MDL Number: MFCD00072055 InChI Key: IELOKBJPULMYRW-NJQVLOCASA-N Synonym: Vitamin E Succinate PubChem CID: 20353 IUPAC Name: 4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid SMILES: CC1=C2C(=C(C(=C1C)OC(=O)CCC(=O)O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C

PubChem CID 20353
CAS 4345-03-3
Molecular Weight (g/mol) 530.79
MDL Number MFCD00072055
SMILES CC1=C2C(=C(C(=C1C)OC(=O)CCC(=O)O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C
Synonym Vitamin E Succinate
IUPAC Name 4-oxo-4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid
InChI Key IELOKBJPULMYRW-NJQVLOCASA-N
Molecular Formula C33H54O5
216

Isobornyl Methacrylate (stabilized with MEHQ) 85.0+%, TCI America™

CAS: 7534-94-3 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00081070 InChI Key: IAXXETNIOYFMLW-UHFFFAOYNA-N Synonym: ibma,isobornyl methacrylate,methacrylic acid isobornyl ester,iso-bornyl methacrylate,isobornyl methacrylate, technical grade,isobornyl methacrylate, stabilized with mehq,exo-1,7,7-trimethylbicyclo 2.2.1 hept-,2-yl methacrylate,1r,4r-1,7,7-trimethylbicyclo 2.2.1 heptan-2-yl 2-methylprop-2-enoate PubChem CID: 71311141 IUPAC Name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC1CC2CCC1(C)C2(C)C

PubChem CID 71311141
CAS 7534-94-3
Molecular Weight (g/mol) 222.33
MDL Number MFCD00081070
SMILES CC(=C)C(=O)OC1CC2CCC1(C)C2(C)C
Synonym ibma,isobornyl methacrylate,methacrylic acid isobornyl ester,iso-bornyl methacrylate,isobornyl methacrylate, technical grade,isobornyl methacrylate, stabilized with mehq,exo-1,7,7-trimethylbicyclo 2.2.1 hept-,2-yl methacrylate,1r,4r-1,7,7-trimethylbicyclo 2.2.1 heptan-2-yl 2-methylprop-2-enoate
IUPAC Name 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylprop-2-enoate
InChI Key IAXXETNIOYFMLW-UHFFFAOYNA-N
Molecular Formula C14H22O2
217

Squalene 98.0+%, TCI America™

CAS: 111-02-4 Molecular Formula: C30H50 Molecular Weight (g/mol): 410.73 MDL Number: MFCD00008912 InChI Key: YYGNTYWPHWGJRM-AAJYLUCBSA-N Synonym: squalene,trans-squalene,spinacene,supraene,all-trans-squalene,2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene,e,e,e,e-squalene,unii-7qwm220fjh,7qwm220fjh,spinacen PubChem CID: 638072 ChEBI: CHEBI:15440 IUPAC Name: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C

PubChem CID 638072
CAS 111-02-4
Molecular Weight (g/mol) 410.73
ChEBI CHEBI:15440
MDL Number MFCD00008912
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Synonym squalene,trans-squalene,spinacene,supraene,all-trans-squalene,2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene,e,e,e,e-squalene,unii-7qwm220fjh,7qwm220fjh,spinacen
IUPAC Name (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
InChI Key YYGNTYWPHWGJRM-AAJYLUCBSA-N
Molecular Formula C30H50
218

(-)-beta-Pinene 94.0+%, TCI America™

CAS: 18172-67-3 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.238 MDL Number: MFCD00063635 InChI Key: WTARULDDTDQWMU-IUCAKERBSA-N Synonym: --beta-pinene,--nopinene,1s,5s-6,6-dimethyl-2-methylenebicyclo 3.1.1 heptane,1s---beta-pinene,--b-pinene,--pin-2 10-ene,unii-afn153a7su,--?-pinene,1s-1-beta-pinene,afn153a7su PubChem CID: 440967 ChEBI: CHEBI:28359 IUPAC Name: (1S,5S)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane SMILES: CC1(C2CCC(=C)C1C2)C

PubChem CID 440967
CAS 18172-67-3
Molecular Weight (g/mol) 136.238
ChEBI CHEBI:28359
MDL Number MFCD00063635
SMILES CC1(C2CCC(=C)C1C2)C
Synonym --beta-pinene,--nopinene,1s,5s-6,6-dimethyl-2-methylenebicyclo 3.1.1 heptane,1s---beta-pinene,--b-pinene,--pin-2 10-ene,unii-afn153a7su,--?-pinene,1s-1-beta-pinene,afn153a7su
IUPAC Name (1S,5S)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane
InChI Key WTARULDDTDQWMU-IUCAKERBSA-N
Molecular Formula C10H16
219

3-(4-Isopropylphenyl)isobutyraldehyde 92.0+%, TCI America™

CAS: 103-95-7 Molecular Formula: C13H18O Molecular Weight (g/mol): 190.29 MDL Number: MFCD00024160 InChI Key: HQQPOVNESMNPNH-UHFFFAOYNA-N Synonym: 4-Isopropyl-alpha-methylhydrocinnamaldehyde PubChem CID: 517827 IUPAC Name: 3-[4-(propan-2-yl)phenyl]butanal SMILES: CC(C)C1=CC=C(C=C1)C(C)CC=O

PubChem CID 517827
CAS 103-95-7
Molecular Weight (g/mol) 190.29
MDL Number MFCD00024160
SMILES CC(C)C1=CC=C(C=C1)C(C)CC=O
Synonym 4-Isopropyl-alpha-methylhydrocinnamaldehyde
IUPAC Name 3-[4-(propan-2-yl)phenyl]butanal
InChI Key HQQPOVNESMNPNH-UHFFFAOYNA-N
Molecular Formula C13H18O
220

Piperitone (mixture of enantiomers, predominantly (R)-(-)-form) 94.0+%, TCI America™

CAS: 89-81-6 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 InChI Key: YSTPAHQEHQSRJD-UHFFFAOYSA-N Synonym: p-Menth-1-en-3-one, 6-Isopropyl-3-methyl-2-cyclohexen-1-one PubChem CID: 6987 ChEBI: CHEBI:48933 IUPAC Name: 3-methyl-6-propan-2-ylcyclohex-2-en-1-one SMILES: CC1=CC(=O)C(CC1)C(C)C

PubChem CID 6987
CAS 89-81-6
Molecular Weight (g/mol) 152.237
ChEBI CHEBI:48933
SMILES CC1=CC(=O)C(CC1)C(C)C
Synonym p-Menth-1-en-3-one, 6-Isopropyl-3-methyl-2-cyclohexen-1-one
IUPAC Name 3-methyl-6-propan-2-ylcyclohex-2-en-1-one
InChI Key YSTPAHQEHQSRJD-UHFFFAOYSA-N
Molecular Formula C10H16O
221

(+)-Pulegone 85.0+%, TCI America™

CAS: 89-82-7 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00063000 InChI Key: NZGWDASTMWDZIW-QMMMGPOBSA-N Synonym: --pulegone,s---pulegone,pulegone,-,unii-hl7z89m60h,cyclohexanone, 5-methyl-2-1-methylethylidene-, s,s-p-menth-4 8-en-3-one,s-2-isopropylidene-5-methylcyclohexanone,5s-5-methyl-2-propan-2-ylidenecyclohexan-1-one PubChem CID: 638012 ChEBI: CHEBI:81226 IUPAC Name: (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one SMILES: CC1CCC(=C(C)C)C(=O)C1

PubChem CID 638012
CAS 89-82-7
Molecular Weight (g/mol) 152.237
ChEBI CHEBI:81226
MDL Number MFCD00063000
SMILES CC1CCC(=C(C)C)C(=O)C1
Synonym --pulegone,s---pulegone,pulegone,-,unii-hl7z89m60h,cyclohexanone, 5-methyl-2-1-methylethylidene-, s,s-p-menth-4 8-en-3-one,s-2-isopropylidene-5-methylcyclohexanone,5s-5-methyl-2-propan-2-ylidenecyclohexan-1-one
IUPAC Name (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
InChI Key NZGWDASTMWDZIW-QMMMGPOBSA-N
Molecular Formula C10H16O
222

Forskolin 95.0+%, TCI America™

CAS: 66575-29-9 Molecular Formula: C22H34O7 Molecular Weight (g/mol): 410.507 MDL Number: MFCD00082317 InChI Key: OHCQJHSOBUTRHG-KGGHGJDLSA-N Synonym: forskolin,colforsin,coleonol,colforsina,colforsine,colforsinum,boforsin,colforsine french,colforsinum latin,colforsina spanish PubChem CID: 47936 ChEBI: CHEBI:42471 IUPAC Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate SMILES: CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O

PubChem CID 47936
CAS 66575-29-9
Molecular Weight (g/mol) 410.507
ChEBI CHEBI:42471
MDL Number MFCD00082317
SMILES CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O
Synonym forskolin,colforsin,coleonol,colforsina,colforsine,colforsinum,boforsin,colforsine french,colforsinum latin,colforsina spanish
IUPAC Name [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate
InChI Key OHCQJHSOBUTRHG-KGGHGJDLSA-N
Molecular Formula C22H34O7
223

Oleanolic Acid Hydrate 98.0+%, TCI America™

CAS: 508-02-1 Molecular Formula: C30H48O3 Molecular Weight (g/mol): 456.711 MDL Number: MFCD00064914 InChI Key: MIJYXULNPSFWEK-GTOFXWBISA-N Synonym: oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid PubChem CID: 10494 ChEBI: CHEBI:37659 IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C

PubChem CID 10494
CAS 508-02-1
Molecular Weight (g/mol) 456.711
ChEBI CHEBI:37659
MDL Number MFCD00064914
SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
Synonym oleanolic acid,oleanic acid,caryophyllin,astrantiagenin c,giganteumgenin c,virgaureagenin b,3beta-hydroxyolean-12-en-28-oic acid,unii-6smk8r7tgj,ccris 6493,oleanolic_acid
IUPAC Name (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChI Key MIJYXULNPSFWEK-GTOFXWBISA-N
Molecular Formula C30H48O3
224

Tanshinone IIA 97.0+%, TCI America™

CAS: 568-72-9 Molecular Formula: C19H18O3 Molecular Weight (g/mol): 294.35 MDL Number: MFCD00238692 InChI Key: HYXITZLLTYIPOF-UHFFFAOYSA-N Synonym: tanshinone iia,tanshinone ii,tanshinone b,dan shen ketone,tanshinon ii,1,6,6-trimethyl-6,7,8,9-tetrahydrophenanthro 1,2-b furan-10,11-dione,unii-4gpc9fqg6l,4gpc9fqg6l,1,6,6-trimethyl-8,9-dihydro-7h-naphtho 1,2-g benzofuran-10,11-dione,1,6,6-trimethyl-8,9-dihydro-7h-naphtho 1,2-g 1 benzofuran-10,11-dione PubChem CID: 164676 IUPAC Name: 1,6,6-trimethyl-6H,7H,8H,9H,10H,11H-phenanthro[1,2-b]furan-10,11-dione SMILES: CC1=COC2=C1C(=O)C(=O)C1=C3CCCC(C)(C)C3=CC=C21

PubChem CID 164676
CAS 568-72-9
Molecular Weight (g/mol) 294.35
MDL Number MFCD00238692
SMILES CC1=COC2=C1C(=O)C(=O)C1=C3CCCC(C)(C)C3=CC=C21
Synonym tanshinone iia,tanshinone ii,tanshinone b,dan shen ketone,tanshinon ii,1,6,6-trimethyl-6,7,8,9-tetrahydrophenanthro 1,2-b furan-10,11-dione,unii-4gpc9fqg6l,4gpc9fqg6l,1,6,6-trimethyl-8,9-dihydro-7h-naphtho 1,2-g benzofuran-10,11-dione,1,6,6-trimethyl-8,9-dihydro-7h-naphtho 1,2-g 1 benzofuran-10,11-dione
IUPAC Name 1,6,6-trimethyl-6H,7H,8H,9H,10H,11H-phenanthro[1,2-b]furan-10,11-dione
InChI Key HYXITZLLTYIPOF-UHFFFAOYSA-N
Molecular Formula C19H18O3
225

Paclitaxel 98.0+%, TCI America™

CAS: 33069-62-4 Molecular Formula: C47H51NO14 Molecular Weight (g/mol): 853.92 MDL Number: MFCD00869953 InChI Key: RCINICONZNJXQF-VAZQATRQSA-N Synonym: paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel PubChem CID: 133640187 IUPAC Name: (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate SMILES: CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 133640187
CAS 33069-62-4
Molecular Weight (g/mol) 853.92
MDL Number MFCD00869953
SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel
IUPAC Name (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
InChI Key RCINICONZNJXQF-VAZQATRQSA-N
Molecular Formula C47H51NO14