Lipids and Lipid Derivatives
Lanosterol, TRC
CAS: 79-63-0 Molecular Formula: C30 H50 O Molecular Weight (g/mol): 426.72 Synonym: Lanosta-8,24-dien-3-ol, (3β)- (9CI, ACI),(3β)-Lanosta-8,24-dien-3-ol (ACI),Lanosta-8,24-dien-3β-ol (8CI),Lanostadien-3β-ol (7CI),Lanosterol (6CI),3β-Hydroxy-lansota-8,24-dien-21-oic acid,3β-Hydroxylanosta-8,24-diene,4,4,14α-Trimethylcholesta-8,24-dien-3β-ol,5α-Lanosta-8,24-dien-3β-ol,Lanosta-8,24-dienol,Lanosterin,Lanster,MeSH ID: D007810,NSC 60677 IUPAC Name: (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC3
Lobetyolin, TRC
CAS: 136085-37-5 Molecular Formula: C20H28O8 Molecular Weight (g/mol): 396.43 Synonym: (7E)-2-Hydroxy-1-[(1E)-5-hydroxy-1-pentenyl]-7-nonene-3,5-diynyl β-D-glucopyranoside,(7E)-2-Hydroxy-1-[(1E)-5-hydroxy-1-penten-1-yl]-7-nonene-3,5-diyn-1-yl β-D-Glucopyranoside, SMILES: OCC1[C@H](O)C(O)C(O)[C@@H](O1)OC2[C@@H](O)C(CO)O[C@@H](O)C2O
Peimine, TRC
CAS: 23496-41-5 Molecular Formula: C27 H45 N O3 Molecular Weight (g/mol): 431.65 Synonym: Cevane-3,6,20-triol, (3β,5α,6α)-,5α-Cevane-3β,6α,20-triol (8CI),Verticine (6CI,7CI),(3β,5α,6α)-Cevane-3,6,20-triol,Dihydroisoimperialine,Peimine SMILES: C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@@H]4C[C@H]5[C@@H](C[C@H](O)[C@H]6C[C@@H](O)CC[C@]56C)[C@@H]4CC[C@@H]3[C@]2(C)O
Mestranol, TRC
CAS: 72-33-3 Molecular Formula: C21 H26 O2 Molecular Weight (g/mol): 310.43 Synonym: Mestranol,3-methoxy-19-nor-17α-pregna-1,3,5(10)-trien-20-yn-17-ol,19-Nor-17α-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy- (6CI,8CI),17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17β-o1,17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17β-ol,17-Ethynylestradiol 3-methyl ether,17α-Ethinylestradiol 3-methyl ether,17α-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17β-ol,17α-Ethynyl-3-methoxy-17β-hydroxy-δ1,3,5(10)-estratriene,17α-Ethynylestradiol 3-methyl ether,17α-Ethynylestradiol methyl ether,3-Methoxy-17α-ethinylestradiol,3-Methoxy-17α-ethynylestradiol,3-Methoxy-19-nor-17α-pregna-1,3,5(10)-trien-20-yn-17-ol,3-Methoxy-19-nor-17α-pregna-1,3,5(10)-trien-20-yn-17β-ol,3-Methoxyethynylestradiol,3-Methylethynylestradiol,3-O-Methyl-17α-ethynylestradiol,3-O-Methylethynylestradiol,33355,8027 C. B.,Devocin,EE 3ME,Ethinylestradiol 3-methyl ether,Ethynylestradiol 3-methyl ether,Ethynylestradiol 3-monomethyl ether,Ethynylestradiol methyl ether,Inostral,Menophase,Mestranol,NSC 84032,Norquen,Ovastol,SC 4725,δ-MVE,19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17α)- IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol SMILES: COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1
Fluocinolone, TRC
CAS: 807-38-5 Molecular Formula: C21 H26 F2 O6 Molecular Weight (g/mol): 412.42 Synonym: Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,16,17,21-tetrahydroxy-, (6α,11β,16α)-,Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,16α,17,21-tetrahydroxy- (6CI,7CI,8CI),(6α,11β,16α)-6,9-Difluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione,16α-Hydroxy-6α,9-difluoroprednisolone,6α-Fluorotriamcinolone,Fluocinolone,6α,9-Difluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one SMILES: C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
(+)-Borneol, TRC
CAS: 464-43-7 Molecular Formula: C10 H18 O Molecular Weight (g/mol): 154.25 Synonym: Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R,2S,4R)-,Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1R-endo)-,Borneol, (1R,2S,4R)-(+)- (8CI),(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol,(+)-(2S)-Borneol,(+)-Borneol,(+)-endo-Borneol,(1R)-(+)-Borneol,(1R)-endo-Borneol,Borneol, (+)-,d-(+)-Borneol,d-Borneol IUPAC Name: (1R,3S,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol SMILES: CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2
Norgestrel, TRC
CAS: 6533-00-2 Molecular Formula: C21 H28 O2 Molecular Weight (g/mol): 312.45 Synonym: Norgestrel,rac-13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-4-en-20-yn-3-one,18,19-Dinor-17α-pregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (±)- (8CI),(±)-13-Ethyl-17α-ethynyl-17-hydroxygon-4-en-3-one,(±)-17α-Ethynyl-13-ethyl-17-hydroxygon-4-en-3-one,(±)-17α-Ethynyl-13β-ethylgon-4-en-17β-ol-3-one,(±)-Norgestrel,13-Ethyl-17α-ethynyl-17β-hydroxy-4-gonen-3-one,DL-Norgestrel,FH 122A,Methylnorethindrone,Monovar,Neogest,Norgestrel,Ovrette,Postinor,SH 70850,SH 850,Wy 3707,dl-11β-Ethyl-17α-ethynyl-17β-hydroxygon-4-en-3-one,dl-13-β-Ethyl-17-α-ethynyl-17-β-hydroxygon-4-en-3-one,dl-Norgestrel,α-Norgestrel IUPAC Name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
Bimatoprost, TRC
CAS: 155206-00-1 Molecular Formula: C25 H37 N O4 Molecular Weight (g/mol): 415.57 Synonym: (5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-N-ethyl-5-heptenamide,5-Heptenamide, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-pentenyl]cyclopentyl]-N-ethyl-, (5Z)- (9CI),5-Heptenamide, 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl]-N-ethyl-, [1R-[1α(Z),2β(1E,3S*),3α,5α]]-,17-Phenyltrinor-PGF2α ethylamide,AGN 192024,Bimatoprost,Latisse,Lumigan,Prostamide IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide SMILES: CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCc2ccccc2
Beclomethasone, TRC
CAS: 4419-39-0 Molecular Formula: C22 H29 Cl O5 Molecular Weight (g/mol): 408.92 Synonym: Pregna-1,4-diene-3,20-dione, 9-chloro-11β,17,21-trihydroxy-16β-methyl- (7CI,8CI),(11β,16β)-9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione,9-Chloro-11β,17,21-trihydroxy-16β-methyl-pregna-1,4-diene-3,20-dione,9-Chloro-16β-methylprednisolone,9α-Chloro-16β-methylprednisolone,Beclometasone,Beclomethasone,Becolvent IUPAC Name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Gedunin, TRC
CAS: 2753-30-2 Molecular Formula: C28 H34 O7 Molecular Weight (g/mol): 482.56 Synonym: Gedunin,(1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-5-(Acetyloxy)-1-(3-furanyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-4b,7,7,10a,12a-pentamethyloxireno[c]phenanthro[1,2-d]pyran-3,8(3aH,4bH)-dione,Gedunine,NSC 113497,(5α,7α,13α,14β,15β,17aα)-7-(Acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-D-homo-24-nor-17-oxachola-1,20,22-triene-3,16-dione SMILES: CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]13C)c6cocc6
Campestanol, TRC
CAS: 474-60-2 Molecular Formula: C28 H50 O Molecular Weight (g/mol): 402.7 Synonym: Ergostan-3-ol, (3β,5α,24R)-,5α-Ergostan-3β-ol, (24R)- (8CI),Campestanol (7CI),(3β,5α,24R)-Ergostan-3-ol,24β-Ethylcholestanol,24β-Methylcholestanol,5α-Dihydrocampesterol,Chalinastanol,Neospongosterol, dihydro-,Dihydrocampesterin,(24R)-3-ß-Hydroxy-24-methyl-5a-cholestane,(24R)-5α-Ergostan-3β-ol,Dihydro-neospongosterol,CAMP IUPAC Name: (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R,4R)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Dichlorisone, TRC
CAS: 7008-26-6 Molecular Formula: C21 H26 Cl2 O4 Molecular Weight (g/mol): 413.33 Synonym: (11β)-9,11-Dichloro-17,21-dihydroxypregna-1,4-diene-3,20-dione,9,11β-Dichloro-17,21-dihydroxypregna-1,4-diene-3,20-dione,9α,11β-Dichloro-17α,21-dihydroxypregna-1,4-diene-3,20-dione; IUPAC Name: (8S,9R,10S,13S,14S,17R)-9,11-dichloro-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one SMILES: C[C@]12CC(Cl)[C@@]3(Cl)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Diflorasone, TRC
CAS: 2557-49-5 Molecular Formula: C22 H28 F2 O5 Molecular Weight (g/mol): 410.45 Synonym: Diflorasone,Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,17,21-trihydroxy-16-methyl-, (6α,11β,16β)-,Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,17,21-trihydroxy-16β-methyl- (8CI),(6α,11β,16β)-6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,16S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one SMILES: C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Lynestrenol, TRC
CAS: 52-76-6 Molecular Formula: C20 H28 O Molecular Weight (g/mol): 284.44 Synonym: Lynestrenol,19-Nor-17α-pregn-4-en-20-yn-17-ol,19-Norpregn-4-en-20-yn-17-ol, (17α)-,19-Nor-17α-pregn-4-en-20-yn-17-ol (6CI,8CI),17-Ethynylestr-4-en-17β-ol,17α-Ethinyl-17β-hydroxy-δ4-estrene,17α-Ethynyl-17β-hydroxy-δ4-estrene,17α-Ethynyl-17β-hydroxyestr-4-ene,17α-Ethynyl-19-nor-4-androsten-17β-ol,17α-Ethynylestr-4-en-17β-ol,17α-Ethynylestrenol,3-Desoxy-17α-ethinyl-19-nortestosterone,3-Desoxynorlutin,Ethynylestrenol,Exlutena,Exluton,Exlutona,Fysionorm,Linestrenol,Lynestrenol,NSC 37725,NSC 73879,Org 485-50,Orgametil,Orgametril,Orgametrol,Ovamezzo,Ovoresta,Ovoresta M,Physiostat,δ4-17α-Ethinylestren-17β-ol IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
Norethindrone, TRC
CAS: 68-22-4 Molecular Formula: C20 H26 O2 Molecular Weight (g/mol): 298.42 Synonym: Norethisterone Acetate Imp. A (EP),Levonorgestrel Imp. U (EP),(17α)-17-Hydroxy-19-Norpregn-4-en-20-yn-3-one,17-Hydroxy-19-nor-17α-pregn-4-en-20 yn-3-one,17α-Ethinyl-17β-hydroxy-δ4-estren-3-one,17α-Ethinyl-19-nortestosterone,17α-Ethinylestr-4-en-17β-ol-3-one,17α-Ethynyl-17-hydroxy-4-estrene-3-one,17α-Ethynyl-17-hydroxyest-4-en-3-one,17α-Ethynyl-17-hydroxyestr-4-en-3-one,17α-Ethynyl-17β-hydroxy-19-norandrost-4-en-3-one,17α-Ethynyl-17β-hydroxyestr-4-en-3-one,17α-Ethynyl-19-nor-androst-4-en-17β-ol-3-one,17α-Ethynyl-19-nortestosterone,17α-Ethynyl-3-oxo-4-estren-17β-ol,17β-Hydroxy-17α-ethynylestr-4-en-3-one,19-Nor-17α-ethynyl-17β-hydroxy-4-androsten-3-one,19-Nor-17α-ethynylandrosten-17β-ol-3-one,19-Nor-17α-ethynyltestosterone,19-Norandrost-4-en-3-one, 17α-ethynyl-17β-hydroxy-,19-Nortestosterone, 17-ethynyl-,Anovule,Conludaf,Conludag,Estr-4-ene-17α-ethynyl-17β-ol-3-one,Ethinylnortestosterone,Ethynylnortestosterone,Gestest,Menzol,Micronett,Micronor,Micronovum,Mini-Pe,Mini-pill,NSC 9564,Nor-QD,Noralutin,Norcolut,Norethindrone,Norethisteron,Norethisterone,Norethynodrone,Noretisterone Dak,Norfor,Norgestin,Norluten,Norlutin,Norluton,Normapause,Norpregneninolone,Primolut N,Proluteasi,SC 4640,Triella,Utovlan IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C