[2-[(8S,9S,10R,13S,14S,17R)-17-ethoxycarbonyloxy-10,13-dimethyl-3,11-bis(oxidanylidene)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] butanoate

Systemtic Name: [2-[(8S,9S,10R,13S,14S,17R)-17-ethoxycarbonyloxy-10,13-dimethyl-3,11-bis(oxidanylidene)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-[(8S,9S,10R,13S,14S,17R)-17-ethoxycarbonyloxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-[(8S,9S,10R,13S,14S,17R)-17-ethoxycarbonyloxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8S,9S,10R,13S,14S,17R)-17-ethoxycarbonyloxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate Traditional Name: butyric acid [2-[(8S,9S,10R,13S,14S,17R)-17-carbethoxyoxy-3,11-diketo-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C28H36O8 MolecularWeight: 500.58064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36O8/c1-5-7-23(32)35-16-22(31)28(36-25(33)34-6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)24(19)21(30)15-27(20,28)4/h10,12,14,19-20,24H,5-9,11,13,15-16H2,1-4H3/t19-,20-,24+,26-,27-,28-/m0/s1