[2-[(6S,8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-6-fluoranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] propanoate

Systemtic Name: [2-[(6S,8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-6-fluoranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] propanoate Openeye Name: [2-[(6S,8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-6-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] propanoate CAS Name: propanoic acid [2-[(6S,8S,9S,10R,13S,14S,17R)-17-[butoxy(oxo)methoxy]-6-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(6S,8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-6-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate Traditional Name: propionic acid [2-[(6S,8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-6-fluoro-11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C29H39FO8 MolecularWeight: 534.613563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)F)O)C)C(=O)COC(=O)CC

Isomeric SMILES

CCCCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C(=O)COC(=O)CC

InChI

InChI=1S/C29H39FO8/c1-5-7-12-36-26(35)38-29(23(33)16-37-24(34)6-2)11-9-19-18-14-21(30)20-13-17(31)8-10-27(20,3)25(18)22(32)15-28(19,29)4/h8,10,13,18-19,21-22,25,32H,5-7,9,11-12,14-16H2,1-4H3/t18-,19-,21-,22?,25+,27-,28-,29-/m0/s1