[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] methanesulfonate

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] methanesulfonate 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] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic 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: C24H34O9S MolecularWeight: 498.58636

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H34O9S/c1-22-9-7-15(25)11-14(22)5-6-16-17-8-10-24(33-21(28)31-3,19(27)13-32-34(4,29)30)23(17,2)12-18(26)20(16)22/h11,16-18,20,26H,5-10,12-13H2,1-4H3/t16-,17-,18-,20+,22-,23-,24-/m0/s1