[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,11-bis(oxidanylidene)-17-(2-propoxycarbonyloxyethanoyl)-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-propoxycarbonyloxyethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethyl carbonate Openeye Name: [(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,11-dioxo-17-(2-propoxycarbonyloxyacetyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethyl carbonate CAS Name: carbonic acid [(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3,11-dioxo-17-[1-oxo-2-[oxo(propoxy)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-propoxycarbonyloxyacetyl)-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] propyl ester Formula: C28H38O9 MolecularWeight: 518.59592

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)OC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H38O9/c1-5-13-35-24(32)36-16-22(31)28(37-25(33)34-6-2)12-10-20-19-8-7-17-14-18(29)9-11-26(17,3)23(19)21(30)15-27(20,28)4/h14,19-20,23H,5-13,15-16H2,1-4H3/t19-,20-,23+,26-,27-,28-/m0/s1