4-[(6R,8S,10S,11S,13S,14S)-17-(carboxymethyl)-9,11-bis(chloranyl)-6-fluoranyl-10,13-dimethyl-15-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(6R,8S,10S,11S,13S,14S)-17-(carboxymethyl)-9,11-bis(chloranyl)-6-fluoranyl-10,13-dimethyl-15-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6R,8S,10S,11S,13S,14S)-17-(carboxymethyl)-9,11-dichloro-6-fluoro-15-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxo-butanoic acid CAS Name: 4-[(6R,8S,10S,11S,13S,14S)-17-(carboxymethyl)-9,11-dichloro-6-fluoro-15-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid IUPAC Name: 4-[(6R,8S,10S,11S,13S,14S)-17-(carboxymethyl)-9,11-dichloro-6-fluoro-15-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid Traditional Name: 4-[(6R,8S,10S,11S,13S,14S)-17-(carboxymethyl)-9,11-dichloro-6-fluoro-15-hydroxy-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-keto-butyric acid Formula: C25H29Cl2FO8 MolecularWeight: 547.397363

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3(C(C1C(CC2(CC(=O)O)C(=O)C(CC(=O)O)O)O)CC(C4=CC(=O)C=CC43C)F)Cl)Cl

Isomeric SMILES

C[C@]12C[C@@H](C3([C@H]([C@@H]1C(CC2(CC(=O)O)C(=O)C(CC(=O)O)O)O)C[C@H](C4=CC(=O)C=C[C@@]43C)F)Cl)Cl

InChI

InChI=1S/C25H29Cl2FO8/c1-22-4-3-11(29)5-12(22)14(28)6-13-20-16(31)8-24(10-19(34)35,21(36)15(30)7-18(32)33)23(20,2)9-17(26)25(13,22)27/h3-5,13-17,20,30-31H,6-10H2,1-2H3,(H,32,33)(H,34,35)/t13-,14+,15?,16?,17-,20+,22-,23-,24?,25?/m0/s1