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

Systemtic Name: [2-[(8S,9S,10R,13S,14S,17R)-17-methoxycarbonyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] cyclopropanecarboxylate Openeye Name: [2-[(8S,9S,10R,13S,14S,17R)-11-hydroxy-17-methoxycarbonyloxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [2-[(8S,9S,10R,13S,14S,17R)-11-hydroxy-17-methoxycarbonyloxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8S,9S,10R,13S,14S,17R)-11-hydroxy-17-methoxycarbonyloxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic 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] ester Formula: C27H34O8 MolecularWeight: 486.55406

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2(C(=O)COC(=O)C4CC4)OC(=O)OC)CCC5=CC(=O)C=CC35C)O

Isomeric SMILES

C[C@]12CC([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C4CC4)OC(=O)OC)CCC5=CC(=O)C=C[C@]35C)O

InChI

InChI=1S/C27H34O8/c1-25-10-8-17(28)12-16(25)6-7-18-19-9-11-27(35-24(32)33-3,26(19,2)13-20(29)22(18)25)21(30)14-34-23(31)15-4-5-15/h8,10,12,15,18-20,22,29H,4-7,9,11,13-14H2,1-3H3/t18-,19-,20?,22+,25-,26-,27-/m0/s1