[2-[(8S,9S,10R,11S,13S,14S,17R)-17-methoxycarbonyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] butanoate

Systemtic Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-17-methoxycarbonyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-methoxycarbonyloxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-methoxycarbonyloxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-methoxycarbonyloxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate Traditional Name: butyric acid [2-[(8S,9S,10R,11S,13S,14S,17R)-17-carbomethoxyoxy-11-hydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C27H38O8 MolecularWeight: 490.58582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)OC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H38O8/c1-5-6-22(31)34-15-21(30)27(35-24(32)33-4)12-10-19-18-8-7-16-13-17(28)9-11-25(16,2)23(18)20(29)14-26(19,27)3/h13,18-20,23,29H,5-12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1