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

Systemtic Name: [3-[(8S,10S,11S,13S,14S,16R,17R)-16-acetyloxy-11,17-dideuteriooxy-9-fluoranyl-10,13-dimethyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2,3-bis(oxidanylidene)propyl] ethanoate Openeye Name: [3-[(8S,10S,11S,13S,14S,16R,17R)-16-acetoxy-11,17-dideuteriooxy-9-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2,3-dioxo-propyl] acetate CAS Name: acetic acid [3-[(8S,10S,11S,13S,14S,16R,17R)-16-acetyloxy-11,17-dideuteriooxy-9-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2,3-dioxopropyl] ester IUPAC Name: [3-[(8S,10S,11S,13S,14S,16R,17R)-16-acetyloxy-11,17-dideuteriooxy-9-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2,3-dioxopropyl] acetate Traditional Name: acetic acid [3-[(8S,10S,11S,13S,14S,16R,17R)-16-acetoxy-11,17-dideuteriooxy-9-fluoro-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2,3-diketo-propyl] ester Formula: C26H31FO9 MolecularWeight: 508.529667

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)OC(=O)C)O

Isomeric SMILES

[2H]O[C@H]1C[C@]2([C@@H](C[C@H]([C@]2(C(=O)C(=O)COC(=O)C)O[2H])OC(=O)C)[C@H]3C1([C@]4(C=CC(=O)C=C4CC3)C)F)C

InChI

InChI=1S/C26H31FO9/c1-13(28)35-12-19(31)22(33)26(34)21(36-14(2)29)10-18-17-6-5-15-9-16(30)7-8-23(15,3)25(17,27)20(32)11-24(18,26)4/h7-9,17-18,20-21,32,34H,5-6,10-12H2,1-4H3/t17-,18-,20-,21+,23-,24-,25?,26+/m0/s1/i32D,34D