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

Systemtic Name: methyl (2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxycarbonyloxy-ethanoate Openeye Name: methyl (2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxycarbonyloxy-acetate CAS Name: (2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxycarbonyloxyacetic acid methyl ester IUPAC Name: methyl (2S)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxycarbonyloxyacetate Traditional Name: (2S)-2-carbomethoxyoxy-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetic acid methyl ester Formula: C24H34O8 MolecularWeight: 450.52196

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(C(=O)OC)OC(=O)OC)O)C)O

Isomeric SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4([C@@H](C(=O)OC)OC(=O)OC)O)C)O

InChI

InChI=1S/C24H34O8/c1-22-9-7-14(25)11-13(22)5-6-15-16-8-10-24(29,23(16,2)12-17(26)18(15)22)19(20(27)30-3)32-21(28)31-4/h11,15-19,26,29H,5-10,12H2,1-4H3/t15-,16-,17-,18+,19+,22-,23-,24-/m0/s1