4-[(6R,8S,10R,13S,14S)-17-(carboxymethyl)-6-fluoranyl-10,13-dimethyl-15-oxidanyl-3-oxidanylidene-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(6R,8S,10R,13S,14S)-17-(carboxymethyl)-6-fluoranyl-10,13-dimethyl-15-oxidanyl-3-oxidanylidene-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6R,8S,10R,13S,14S)-17-(carboxymethyl)-6-fluoro-15-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxo-butanoic acid CAS Name: 4-[(6R,8S,10R,13S,14S)-17-(carboxymethyl)-6-fluoro-15-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid IUPAC Name: 4-[(6R,8S,10R,13S,14S)-17-(carboxymethyl)-6-fluoro-15-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid Traditional Name: 4-[(6R,8S,10R,13S,14S)-17-(carboxymethyl)-6-fluoro-15-hydroxy-3-keto-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-keto-butyric acid Formula: C25H29FO8 MolecularWeight: 476.491363

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC=C3C(C1C(CC2(CC(=O)O)C(=O)C(CC(=O)O)O)O)CC(C4=CC(=O)C=CC34C)F

Isomeric SMILES

C[C@]12CC=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@]34C)F

InChI

InChI=1S/C25H29FO8/c1-23-5-3-12(27)7-15(23)16(26)8-13-14(23)4-6-24(2)21(13)18(29)10-25(24,11-20(32)33)22(34)17(28)9-19(30)31/h3-5,7,13,16-18,21,28-29H,6,8-11H2,1-2H3,(H,30,31)(H,32,33)/t13-,16-,17?,18?,21-,23-,24+,25?/m1/s1