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

Systemtic Name: [(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-17-(2-propan-2-yloxycarbonyloxyethanoyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] methyl carbonate Openeye Name: [(8S,9S,10R,13S,14S,17R)-11-hydroxy-17-(2-isopropoxycarbonyloxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] methyl carbonate CAS Name: carbonic acid [(8S,9S,10R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-[1-oxo-2-[oxo(propan-2-yloxy)methoxy]ethyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] methyl ester IUPAC Name: [(8S,9S,10R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propan-2-yloxycarbonyloxyacetyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] methyl carbonate Traditional Name: carbonic acid [2-[(8S,9S,10R,13S,14S,17R)-17-carbomethoxyoxy-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] isopropyl ester Formula: C27H36O9 MolecularWeight: 504.56934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OC

Isomeric SMILES

CC(C)OC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)OC

InChI

InChI=1S/C27H36O9/c1-15(2)35-24(32)34-14-21(30)27(36-23(31)33-5)11-9-19-18-7-6-16-12-17(28)8-10-25(16,3)22(18)20(29)13-26(19,27)4/h8,10,12,15,18-20,22,29H,6-7,9,11,13-14H2,1-5H3/t18-,19-,20?,22+,25-,26-,27-/m0/s1