Lipids and Lipid Derivatives
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| MDL Number | MFCD00151238 |
|---|
Hydrocortisone acetate, 97+%
CAS: 50-03-3 Molecular Formula: C23H32O6 Molecular Weight (g/mol): 404.50 MDL Number: MFCD00037714 InChI Key: ALEXXDVDDISNDU-JZYPGELDSA-N Synonym: hydrocortisone acetate,cortell,cortisol 21-acetate,cortisol acetate,cortacream,hydrocortisat,abbocort,bambicort,biocortar,chemysone PubChem CID: 5744 ChEBI: CHEBI:17609 SMILES: CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
| PubChem CID | 5744 |
|---|---|
| CAS | 50-03-3 |
| Molecular Weight (g/mol) | 404.50 |
| ChEBI | CHEBI:17609 |
| MDL Number | MFCD00037714 |
| SMILES | CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C |
| Synonym | hydrocortisone acetate,cortell,cortisol 21-acetate,cortisol acetate,cortacream,hydrocortisat,abbocort,bambicort,biocortar,chemysone |
| InChI Key | ALEXXDVDDISNDU-JZYPGELDSA-N |
| Molecular Formula | C23H32O6 |
(+)-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 |
Citronellyl acetate, 96%
CAS: 150-84-5 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00015039 InChI Key: JOZKFWLRHCDGJA-UHFFFAOYSA-N Synonym: citronellyl acetate,citronellol acetate,3,7-dimethyl-6-octen-1-yl acetate,3,7-dimethyloct-6-en-1-yl acetate,1-acetoxy-3,7-dimethyloct-6-ene,acetic acid, citronellyl ester,natural rhodinol, acetylated,citronellyl ethanoate,b-citronellyl acetate,6-octen-1-ol, 3,7-dimethyl-, acetate PubChem CID: 9017 ChEBI: CHEBI:70478 IUPAC Name: 3,7-dimethyloct-6-enyl acetate SMILES: CC(CCC=C(C)C)CCOC(=O)C
| PubChem CID | 9017 |
|---|---|
| CAS | 150-84-5 |
| Molecular Weight (g/mol) | 198.306 |
| ChEBI | CHEBI:70478 |
| MDL Number | MFCD00015039 |
| SMILES | CC(CCC=C(C)C)CCOC(=O)C |
| Synonym | citronellyl acetate,citronellol acetate,3,7-dimethyl-6-octen-1-yl acetate,3,7-dimethyloct-6-en-1-yl acetate,1-acetoxy-3,7-dimethyloct-6-ene,acetic acid, citronellyl ester,natural rhodinol, acetylated,citronellyl ethanoate,b-citronellyl acetate,6-octen-1-ol, 3,7-dimethyl-, acetate |
| IUPAC Name | 3,7-dimethyloct-6-enyl acetate |
| InChI Key | JOZKFWLRHCDGJA-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |
Estriol, Micronized, USP, 97-102%, Spectrum™ Chemical
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CAS: 50-27-1 Molecular Formula: C18H24O3 Molecular Weight (g/mol): 288.39 InChI Key: PROQIPRRNZUXQM-ZXXIGWHRSA-N IUPAC Name: (1R,2R,3aS,3bR,9bS,11aS)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2,7-triol SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1C[C@@H](O)[C@@H]2O
| CAS | 50-27-1 |
|---|---|
| Molecular Weight (g/mol) | 288.39 |
| SMILES | C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1C[C@@H](O)[C@@H]2O |
| IUPAC Name | (1R,2R,3aS,3bR,9bS,11aS)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2,7-triol |
| InChI Key | PROQIPRRNZUXQM-ZXXIGWHRSA-N |
| Molecular Formula | C18H24O3 |
Terpin Hydrate, USP, 98-100.5%, Spectrum™ Chemical
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CAS: 2451-01-6 Molecular Formula: C10H22O3 Molecular Weight (g/mol): 190.28 InChI Key: JGKJMBOJWVAMIJ-UHFFFAOYSA-N IUPAC Name: 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol hydrate SMILES: O.CC(C)(O)C1CCC(C)(O)CC1
| CAS | 2451-01-6 |
|---|---|
| Molecular Weight (g/mol) | 190.28 |
| SMILES | O.CC(C)(O)C1CCC(C)(O)CC1 |
| IUPAC Name | 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol hydrate |
| InChI Key | JGKJMBOJWVAMIJ-UHFFFAOYSA-N |
| Molecular Formula | C10H22O3 |
Vitamin A Palmitate, 1.70 MIU/g, USP, 1.62 MIU/g, Spectrum™ Chemical
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CAS: 79-81-2 Molecular Formula: C36H60O2 Molecular Weight (g/mol): 524.87 InChI Key: VYGQUTWHTHXGQB-FFHKNEKCSA-N IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
| CAS | 79-81-2 |
|---|---|
| Molecular Weight (g/mol) | 524.87 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |
| IUPAC Name | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate |
| InChI Key | VYGQUTWHTHXGQB-FFHKNEKCSA-N |
| Molecular Formula | C36H60O2 |
Flurbiprofen, USP, 99-100.5%, Spectrum™ Chemical
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CAS: 5104-49-4 Molecular Formula: C15H13FO2 Molecular Weight (g/mol): 244.27 MDL Number: MFCD00079303 InChI Key: SYTBZMRGLBWNTM-UHFFFAOYNA-N IUPAC Name: 2-{2-fluoro-[1,1'-biphenyl]-4-yl}propanoic acid SMILES: CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1
| CAS | 5104-49-4 |
|---|---|
| Molecular Weight (g/mol) | 244.27 |
| MDL Number | MFCD00079303 |
| SMILES | CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1 |
| IUPAC Name | 2-{2-fluoro-[1,1'-biphenyl]-4-yl}propanoic acid |
| InChI Key | SYTBZMRGLBWNTM-UHFFFAOYNA-N |
| Molecular Formula | C15H13FO2 |
Erucic acid, tech. 90%
CAS: 112-86-7 Molecular Formula: C22H42O2 Molecular Weight (g/mol): 338.576 MDL Number: MFCD00063188 InChI Key: DPUOLQHDNGRHBS-KTKRTIGZSA-N Synonym: erucic acid,cis-13-docosenoic acid,z-docos-13-enoic acid,13-docosenoic acid, z,cis-erucic acid,13-cis-docosenoic acid,13-docosenoic acid,z-13-docosenoic acid,hystrene 2290 PubChem CID: 5281116 ChEBI: CHEBI:28792 IUPAC Name: (Z)-docos-13-enoic acid SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)O
| PubChem CID | 5281116 |
|---|---|
| CAS | 112-86-7 |
| Molecular Weight (g/mol) | 338.576 |
| ChEBI | CHEBI:28792 |
| MDL Number | MFCD00063188 |
| SMILES | CCCCCCCCC=CCCCCCCCCCCCC(=O)O |
| Synonym | erucic acid,cis-13-docosenoic acid,z-docos-13-enoic acid,13-docosenoic acid, z,cis-erucic acid,13-cis-docosenoic acid,13-docosenoic acid,z-13-docosenoic acid,hystrene 2290 |
| IUPAC Name | (Z)-docos-13-enoic acid |
| InChI Key | DPUOLQHDNGRHBS-KTKRTIGZSA-N |
| Molecular Formula | C22H42O2 |
Rotenone, ≥97%, MP Biomedicals™
CAS: 83-79-4 Molecular Formula: C23H22O6 Molecular Weight (g/mol): 394.423 InChI Key: JUVIOZPCNVVQFO-HBGVWJBISA-N Synonym: rotenone,dactinol,paraderil,--rotenone,tubatoxin,barbasco,--cis-rotenone,derrin,derris,cube root PubChem CID: 6758 ChEBI: CHEBI:28201 SMILES: CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC
| PubChem CID | 6758 |
|---|---|
| CAS | 83-79-4 |
| Molecular Weight (g/mol) | 394.423 |
| ChEBI | CHEBI:28201 |
| SMILES | CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC |
| Synonym | rotenone,dactinol,paraderil,--rotenone,tubatoxin,barbasco,--cis-rotenone,derrin,derris,cube root |
| InChI Key | JUVIOZPCNVVQFO-HBGVWJBISA-N |
| Molecular Formula | C23H22O6 |
Megestrol Acetate, MP Biomedicals™
CAS: 595-33-5 Molecular Formula: C24H32O4 Molecular Weight (g/mol): 384.516 InChI Key: RQZAXGRLVPAYTJ-GQFGMJRRSA-N Synonym: megestrol acetate,niagestin,megace es,megestryl acetate,megace,megeron,ovaban,ovarid,pallace,magestin PubChem CID: 11683 IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate SMILES: CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C
| PubChem CID | 11683 |
|---|---|
| CAS | 595-33-5 |
| Molecular Weight (g/mol) | 384.516 |
| SMILES | CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C |
| Synonym | megestrol acetate,niagestin,megace es,megestryl acetate,megace,megeron,ovaban,ovarid,pallace,magestin |
| IUPAC Name | [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate |
| InChI Key | RQZAXGRLVPAYTJ-GQFGMJRRSA-N |
| Molecular Formula | C24H32O4 |
Dimethyl itaconate, 97%
CAS: 617-52-7 Molecular Formula: C7H10O4 Molecular Weight (g/mol): 158.15 MDL Number: MFCD00008446 InChI Key: ZWWQRMFIZFPUAA-UHFFFAOYSA-N Synonym: dimethyl itaconate,dimethyl 2-methylenesuccinate,dimethylitaconate,itaconic acid dimethyl ester,itaconic acid, dimethyl ester,butanedioic acid, methylene-, dimethyl ester,1,4-dimethyl 2-methylidenebutanedioate,dimethyl methylenesuccinate,unii-11jib0yi93,succinic acid, methylene-, dimethyl ester PubChem CID: 69240 IUPAC Name: dimethyl 2-methylidenebutanedioate SMILES: COC(=O)CC(=C)C(=O)OC
| PubChem CID | 69240 |
|---|---|
| CAS | 617-52-7 |
| Molecular Weight (g/mol) | 158.15 |
| MDL Number | MFCD00008446 |
| SMILES | COC(=O)CC(=C)C(=O)OC |
| Synonym | dimethyl itaconate,dimethyl 2-methylenesuccinate,dimethylitaconate,itaconic acid dimethyl ester,itaconic acid, dimethyl ester,butanedioic acid, methylene-, dimethyl ester,1,4-dimethyl 2-methylidenebutanedioate,dimethyl methylenesuccinate,unii-11jib0yi93,succinic acid, methylene-, dimethyl ester |
| IUPAC Name | dimethyl 2-methylidenebutanedioate |
| InChI Key | ZWWQRMFIZFPUAA-UHFFFAOYSA-N |
| Molecular Formula | C7H10O4 |
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 |
4-Bromobutylboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester, 95%, Thermo Scientific Chemicals
CAS: 165881-36-7 Molecular Formula: C14H24BBrO2 Molecular Weight (g/mol): 315.058 MDL Number: MFCD09037500 InChI Key: DQGAIMVYOVPBSD-FMSGJZPZSA-N Synonym: 4-bromobutylboronic acid 1s,2s,3r,5s-+-2,3-pinanediol ester,4-bromobutylboronate ester,4-bromobutaneboronic acid 1s,2s,3r,5s-+-2,3-pinanediol ester,1s,2s,3r,5s-+-2,3-pinanediol 4-bromobutylboronate ester,1s,2s,6r,8s-4-4-bromobutyl-1,8-dihydrogenio-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.02,6 decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0?,? decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0^ 2,6 decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0_,? decane,3as,4s,6s,7ar-2-4-bromobutyl-3a,5,5-trimethylhexahydro-2h-4,6-methano-1,3,2-benzodioxaborole,3as,4s,6s,7ar-2-4-bromobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo d 1,3,2 dioxaborole PubChem CID: 44784918 SMILES: B1(OC2CC3CC(C3(C)C)C2(O1)C)CCCCBr
| PubChem CID | 44784918 |
|---|---|
| CAS | 165881-36-7 |
| Molecular Weight (g/mol) | 315.058 |
| MDL Number | MFCD09037500 |
| SMILES | B1(OC2CC3CC(C3(C)C)C2(O1)C)CCCCBr |
| Synonym | 4-bromobutylboronic acid 1s,2s,3r,5s-+-2,3-pinanediol ester,4-bromobutylboronate ester,4-bromobutaneboronic acid 1s,2s,3r,5s-+-2,3-pinanediol ester,1s,2s,3r,5s-+-2,3-pinanediol 4-bromobutylboronate ester,1s,2s,6r,8s-4-4-bromobutyl-1,8-dihydrogenio-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.02,6 decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0?,? decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0^ 2,6 decane,1s,2s,6r,8s-4-4-bromobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo 6.1.1.0_,? decane,3as,4s,6s,7ar-2-4-bromobutyl-3a,5,5-trimethylhexahydro-2h-4,6-methano-1,3,2-benzodioxaborole,3as,4s,6s,7ar-2-4-bromobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo d 1,3,2 dioxaborole |
| InChI Key | DQGAIMVYOVPBSD-FMSGJZPZSA-N |
| Molecular Formula | C14H24BBrO2 |
Methyl 7-bromoheptanoate, 98%
CAS: 54049-24-0 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.11 MDL Number: MFCD02258672 InChI Key: BXRLUWIDTDLHQE-UHFFFAOYSA-N Synonym: methyl-7-bromoheptanoate,7-bromoheptanoic acid methyl ester,heptanoic acid, 7-bromo-, methyl ester,acmc-1aya7,13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-1h-cyclopenta a phenanthren-3-one PubChem CID: 554086 IUPAC Name: methyl 7-bromoheptanoate SMILES: COC(=O)CCCCCCBr
| PubChem CID | 554086 |
|---|---|
| CAS | 54049-24-0 |
| Molecular Weight (g/mol) | 223.11 |
| MDL Number | MFCD02258672 |
| SMILES | COC(=O)CCCCCCBr |
| Synonym | methyl-7-bromoheptanoate,7-bromoheptanoic acid methyl ester,heptanoic acid, 7-bromo-, methyl ester,acmc-1aya7,13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-1h-cyclopenta a phenanthren-3-one |
| IUPAC Name | methyl 7-bromoheptanoate |
| InChI Key | BXRLUWIDTDLHQE-UHFFFAOYSA-N |
| Molecular Formula | C8H15BrO2 |