[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] propyl 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] propyl 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] propyl 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] propyl 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] propyl 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] propyl ester Formula: C30H41FO9 MolecularWeight: 564.639543

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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)OCCC

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)OCCC

InChI

InChI=1S/C30H41FO9/c1-5-7-13-38-27(36)40-30(24(34)17-39-26(35)37-12-6-2)11-9-20-19-15-22(31)21-14-18(32)8-10-28(21,3)25(19)23(33)16-29(20,30)4/h8,10,14,19-20,22-23,25,33H,5-7,9,11-13,15-17H2,1-4H3/t19-,20-,22-,23?,25+,28-,29-,30-/m0/s1