[2-[(6S,9R,10S,11S,13S,16R,17R)-16-chloranyl-6,9-bis(fluoranyl)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[(6S,9R,10S,11S,13S,16R,17R)-16-chloranyl-6,9-bis(fluoranyl)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[(6S,9R,10S,11S,13S,16R,17R)-16-chloro-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(6S,9R,10S,11S,13S,16R,17R)-16-chloro-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(6S,9R,10S,11S,13S,16R,17R)-16-chloro-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(6S,9R,10S,11S,13S,16R,17R)-16-chloro-6,9-difluoro-11,17-dihydroxy-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C23H27ClF2O6 MolecularWeight: 472.906686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)Cl)O

Isomeric SMILES

CC(=O)OCC(=O)[C@]1([C@@H](CC2[C@@]1(C[C@@H]([C@]3(C2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)Cl)O

InChI

InChI=1S/C23H27ClF2O6/c1-11(27)32-10-19(30)23(31)17(24)8-13-14-7-16(25)15-6-12(28)4-5-20(15,2)22(14,26)18(29)9-21(13,23)3/h4-6,13-14,16-18,29,31H,7-10H2,1-3H3/t13?,14?,16-,17+,18-,20-,21-,22-,23-/m0/s1