[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,11-bis(oxidanylidene)-17-(2-propan-2-yloxycarbonyloxyethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethyl carbonate

Systemtic Name: [(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,11-bis(oxidanylidene)-17-(2-propan-2-yloxycarbonyloxyethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethyl carbonate Openeye Name: [2-[(8S,9S,10R,13S,14S,17R)-17-ethoxycarbonyloxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] isopropyl carbonate CAS Name: carbonic acid [(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,11-dioxo-17-[1-oxo-2-[oxo(propan-2-yloxy)methoxy]ethyl]-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethyl ester IUPAC Name: [(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,11-dioxo-17-(2-propan-2-yloxycarbonyloxyacetyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethyl carbonate Traditional Name: carbonic acid [2-[(8S,9S,10R,13S,14S,17R)-17-carbethoxyoxy-3,11-diketo-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] isopropyl ester Formula: C28H38O9 MolecularWeight: 518.59592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)C(=O)COC(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H38O9/c1-6-34-25(33)37-28(22(31)15-35-24(32)36-16(2)3)12-10-20-19-8-7-17-13-18(29)9-11-26(17,4)23(19)21(30)14-27(20,28)5/h13,16,19-20,23H,6-12,14-15H2,1-5H3/t19-,20-,23+,26-,27-,28-/m0/s1