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

Systemtic Name: [2-[(8S,9R,10S,13S,14S,17R)-9-chloranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-17-propoxycarbonyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethyl 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] propyl 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] propyl 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] propyl 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] propyl ester Formula: C28H37ClO9 MolecularWeight: 553.04098

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)OC1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C(=O)COC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H37ClO9/c1-5-13-36-24(34)38-27(22(32)16-37-23(33)35-6-2)12-10-19-20-8-7-17-14-18(30)9-11-25(17,3)28(20,29)21(31)15-26(19,27)4/h9,11,14,19-21,31H,5-8,10,12-13,15-16H2,1-4H3/t19-,20-,21?,25-,26-,27-,28-/m0/s1