[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] methyl carbonate

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] methyl carbonate 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] methyl carbonate CAS Name: carbonic 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] methyl 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] methyl carbonate Traditional Name: carbonic 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] methyl ester Formula: C28H37FO9 MolecularWeight: 536.586383

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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)OC

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)OC

InChI

InChI=1S/C28H37FO9/c1-5-6-11-36-25(34)38-28(22(32)15-37-24(33)35-4)10-8-18-17-13-20(29)19-12-16(30)7-9-26(19,2)23(17)21(31)14-27(18,28)3/h7,9,12,17-18,20-21,23,31H,5-6,8,10-11,13-15H2,1-4H3/t17-,18-,20-,21?,23+,26-,27-,28-/m0/s1