[(8S,9R,10S,13S,14S,17R)-9-chloranyl-10,13-dimethyl-17-[2-(2-methylpropoxycarbonyloxy)ethanoyl]-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] methyl carbonate

Systemtic Name: [(8S,9R,10S,13S,14S,17R)-9-chloranyl-10,13-dimethyl-17-[2-(2-methylpropoxycarbonyloxy)ethanoyl]-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] methyl carbonate Openeye Name: [(8S,9R,10S,13S,14S,17R)-9-chloro-11-hydroxy-17-(2-isobutoxycarbonyloxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] methyl carbonate CAS Name: carbonic acid [(8S,9R,10S,13S,14S,17R)-9-chloro-11-hydroxy-10,13-dimethyl-17-[2-[2-methylpropoxy(oxo)methoxy]-1-oxoethyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] methyl ester IUPAC Name: [(8S,9R,10S,13S,14S,17R)-9-chloro-11-hydroxy-10,13-dimethyl-17-[2-(2-methylpropoxycarbonyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] methyl carbonate Traditional Name: carbonic acid [2-[(8S,9R,10S,13S,14S,17R)-17-carbomethoxyoxy-9-chloro-11-hydroxy-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] isobutyl ester Formula: C28H37ClO9 MolecularWeight: 553.04098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)OC(=O)OC

Isomeric SMILES

CC(C)COC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)OC(=O)OC

InChI

InChI=1S/C28H37ClO9/c1-16(2)14-36-24(34)37-15-22(32)27(38-23(33)35-5)11-9-19-20-7-6-17-12-18(30)8-10-25(17,3)28(20,29)21(31)13-26(19,27)4/h8,10,12,16,19-21,31H,6-7,9,11,13-15H2,1-5H3/t19-,20-,21?,25-,26-,27-,28-/m0/s1