[(8S,9R,10S,13S,14S,17R)-9-chloranyl-17-(2-ethoxycarbonyloxyethanoyl)-10,13-dimethyl-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-17-(2-ethoxycarbonyloxyethanoyl)-10,13-dimethyl-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-17-(2-ethoxycarbonyloxyacetyl)-11-hydroxy-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-17-(2-ethoxycarbonyloxy-1-oxoethyl)-11-hydroxy-10,13-dimethyl-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-17-(2-ethoxycarbonyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] methyl carbonate Traditional Name: carbonic acid [(8S,9R,10S,13S,14S,17R)-17-(2-carbethoxyoxyacetyl)-9-chloro-11-hydroxy-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] methyl ester Formula: C26H33ClO9 MolecularWeight: 524.98782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C26H33ClO9/c1-5-34-22(32)35-14-20(30)25(36-21(31)33-4)11-9-17-18-7-6-15-12-16(28)8-10-23(15,2)26(18,27)19(29)13-24(17,25)3/h8,10,12,17-19,29H,5-7,9,11,13-14H2,1-4H3/t17-,18-,19?,23-,24-,25-,26-/m0/s1