5-[1-[3-carboxy-4-[(3-carboxy-2-methoxy-phenyl)methoxy]-5-chloro-phenyl]-4-[(3S,10S,13R,17R)-10,13-dimethyl-17-(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]-2-[(3-carboxy-2-methoxy-phenyl)methoxy]-3-chloro-benzoic acid
Molecular Formula:
C63H76Cl2O12
InChI: InChI=1/C63H76Cl2O12/c1-35(2)12-8-13-36(3)49-22-23-50-44-21-20-42-28-37(24-26-62(42,4)51(44)25-27-63(49,50)5)14-9-17-43(40-29-47(60(70)71)56(52(64)31-40)76-33-38-15-10-18-45(58(66)67)54(38)74-6)41-30-48(61(72)73)57(53(65)32-41)77-34-39-16-11-19-46(59(68)69)55(39)75-7/h10-11,15-19,29-32,35-37,42,44,49-51H,8-9,12-14,20-28,33-34H2,1-7H3,(H,66,67)(H,68,69)(H,70,71)(H,72,73)/t36u,37-,42u,44u,49+,50u,51u,62-,63+/m0/s1/f/h66,68,70,72H
InChIKey: InChIKey=BVHJLGKCQDUNQC-RCFXKXSSDT
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)OCC6=CC=CC(=C6OC)C(=O)O)C(=O)O)C7=CC(=C(C(=C7)Cl)OCC8=CC=CC(=C8OC)C(=O)O)C(=O)O)C)C
Names:
5-[1-[3-carboxy-4-[(3-carboxy-2-methoxy-phenyl)methoxy]-5-chloro-phenyl]-4-[(3S,10S,13R,17R)-10,13-dimethyl-17-(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]-2-[(3-carboxy-2-methoxy-phenyl)methoxy]-3-chloro-benzoic acid
Registries:
PubChem CID 10328803
PubChem ID 15338338
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