Chemical Compound

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

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5-[(5R)-1-(3-carboxy-5-chloro-4-hydroxy-phenyl)-5-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hex-1-enyl]-3-chloro-2-hydroxy-benzoic acid 结构式
Primary record

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

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
487642
SMILES
C[C@H](CCC=C(C1=CC(=C(C(=C1)Cl)O)C(=O)O)C2=CC(=C(C(=C2)Cl)O)C(=O)O)[C@H]3CCC4[C@@]3([C@H](CC5C4[C@@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)O)C
Canonical SMILES
C[C@H](CCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1)[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O

名称与同义词

  • Cosalane analog
  • 5-[(5R)-1-(3-carboxy-5-chloro-4-hydroxy-phenyl)-5-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hex-1-enyl]-3-chloro-2-hydroxy-benzoic acid
  • 5-[5-((2S,7S,16S,5R,9R,14R,15R)-5,9,16-Trihydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)-1-(3-carboxy-5-chloro-4-hydroxyphenyl)hex-1-enyl]-3-chloro-2-hydroxybenzoic acid