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

Systemtic Name: [(6S,8S,9S,10R,13S,14S,17R)-17-(2-butoxycarbonyloxyethanoyl)-6-fluoranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] butyl carbonate Openeye Name: [(6S,8S,9S,10R,13S,14S,17R)-17-(2-butoxycarbonyloxyacetyl)-6-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] butyl 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] butyl ester IUPAC Name: [(6S,8S,9S,10R,13S,14S,17R)-17-(2-butoxycarbonyloxyacetyl)-6-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] butyl carbonate Traditional Name: carbonic acid [(6S,8S,9S,10R,13S,14S,17R)-17-(2-butoxycarbonyloxyacetyl)-6-fluoro-11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] butyl ester Formula: C31H43FO9 MolecularWeight: 578.666123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)F)O)C)OC(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)OCC(=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)OC(=O)OCCCC

InChI

InChI=1S/C31H43FO9/c1-5-7-13-38-27(36)40-18-25(35)31(41-28(37)39-14-8-6-2)12-10-21-20-16-23(32)22-15-19(33)9-11-29(22,3)26(20)24(34)17-30(21,31)4/h9,11,15,20-21,23-24,26,34H,5-8,10,12-14,16-18H2,1-4H3/t20-,21-,23-,24?,26+,29-,30-,31-/m0/s1