Chemical Compound

5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chloro-2-hydroxybenzoic acid

CAS Registry Number 154212-56-3
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5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chloro-2-hydroxybenzoic acid 结构式
Primary record

5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chloro-2-hydroxybenzoic acid

库存
3,210 克
纯度
98.6 %
CAS
154212-56-3

化合物标识与属性

CAS
154212-56-3
PubChem CID
455040
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)O)C)C
Canonical SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@]12C

名称与同义词

  • Cosalane
  • RefChem:128187
  • 154212-56-3
  • NSC-658586
  • AC1L9S1H
  • UNII-2R84Y6217J
  • DTXSID00165567
  • C45H60Cl2O6
  • orb1703582
  • 2R84Y6217J
  • CHEMBL3545883
  • DTXCID4088058
  • NSC 658586
  • SCHEMBL29374659
  • C45-H60-Cl2-O6
  • GLXC-15174
  • CID455040
  • NSC640067
  • NSC658586
  • ZINC95550542
  • AKOS040745682
  • tetranor-PGFM Lipid Maps MS Standard
  • DA-52070
  • HY-120427
  • J550.696D
  • CS-0077983
  • 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chloro-2-hydroxybenzoic acid
  • Benzoic acid, 3,3'-(4-(3beta,5alpha)-cholestan-3-yl-1-butenylidene)bis(5-chloro-6-hydroxy-
  • Q27255501
  • 3beta-[4,4-Bis(3-chloro-4-hydroxy-5-carboxyphenyl)-3-butenyl]-5alpha-cholestane
  • 3,3'-[4-(5alpha-Cholestan-3beta-yl)but-1-ene-1,1-diyl]bis(5-chloro-6-hydroxybenzoic acid)
  • 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chloro-2-hydroxy-benzoic acid
  • 5-{4-[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]-1-(3-carboxy-5-chloro-4-hydroxyphenyl)but-1-en-1-yl}-3-chloro-2-hydroxybenzoic acid
  • Benzoic acid, 3,3'-(4-((3beta,5alpha)-cholestan-3-yl)-1-buten-1-ylidene)bis(5-chloro-6-hydroxy)-
  • BENZOIC ACID, 3,3'-(4-(3.BETA.,5.ALPHA.)-CHOLESTAN-3-YL-1-BUTENYLIDENE)BIS(5-CHLORO-6-HYDROXY-
  • Benzoic acid, 3,3'-[4-(3.beta.,5.alpha.)-cholestan-3-yl-1-butenylidene]bis[5-chloro-6-hydroxy-