[(8S,9S,10R,13S,14S,17R)-17-(2-butoxycarbonyloxyethanoyl)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-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)-17-(2-butoxycarbonyloxyethanoyl)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-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)-17-(2-butoxycarbonyloxyacetyl)-11-hydroxy-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)-17-[2-[butoxy(oxo)methoxy]-1-oxoethyl]-11-hydroxy-10,13-dimethyl-3-oxo-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)-17-(2-butoxycarbonyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] methyl carbonate Traditional Name: carbonic acid [(8S,9S,10R,13S,14S,17R)-17-(2-butoxycarbonyloxyacetyl)-11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] methyl ester Formula: C28H38O9 MolecularWeight: 518.59592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=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/C28H38O9/c1-5-6-13-35-25(33)36-16-22(31)28(37-24(32)34-4)12-10-20-19-8-7-17-14-18(29)9-11-26(17,2)23(19)21(30)15-27(20,28)3/h9,11,14,19-21,23,30H,5-8,10,12-13,15-16H2,1-4H3/t19-,20-,21?,23+,26-,27-,28-/m0/s1