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

Systemtic Name: 4-[(6R,8S,10S,11S,13S,14S,16S,17S)-16-(carboxymethyl)-6,9-bis(fluoranyl)-10,13-dimethyl-11,16,17-tris(oxidanyl)-3-oxidanylidene-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6R,8S,10S,11S,13S,14S,16S,17S)-16-(carboxymethyl)-6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxo-butanoic acid CAS Name: 4-[(6R,8S,10S,11S,13S,14S,16S,17S)-16-(carboxymethyl)-6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid IUPAC Name: 4-[(6R,8S,10S,11S,13S,14S,16S,17S)-16-(carboxymethyl)-6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid Traditional Name: 4-[(6R,8S,10S,11S,13S,14S,16S,17S)-16-(carboxymethyl)-6,9-difluoro-11,16,17-trihydroxy-3-keto-10,13-dimethyl-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-keto-butyric acid Formula: C25H30F2O10 MolecularWeight: 528.496506

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3(C(C1CC(C2(C(=O)C(CC(=O)O)O)O)(CC(=O)O)O)CC(C4=CC(=O)C=CC43C)F)F)O

Isomeric SMILES

C[C@]12C[C@@H](C3([C@H]([C@@H]1C[C@@]([C@@]2(C(=O)C(CC(=O)O)O)O)(CC(=O)O)O)C[C@H](C4=CC(=O)C=C[C@@]43C)F)F)O

InChI

InChI=1S/C25H30F2O10/c1-21-4-3-11(28)5-13(21)15(26)6-12-14-8-23(36,10-19(33)34)25(37,20(35)16(29)7-18(31)32)22(14,2)9-17(30)24(12,21)27/h3-5,12,14-17,29-30,36-37H,6-10H2,1-2H3,(H,31,32)(H,33,34)/t12-,14-,15+,16?,17-,21-,22-,23-,24?,25-/m0/s1