[(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] propyl 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] propyl carbonate Openeye Name: [2-[(8S,9R,10S,13S,14S,17R)-9-chloro-11-hydroxy-10,13-dimethyl-3-oxo-17-propoxycarbonyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] isobutyl 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] propyl 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] propyl carbonate Traditional Name: carbonic acid [(8S,9R,10S,13S,14S,17R)-9-chloro-11-hydroxy-17-(2-isobutoxycarbonyloxyacetyl)-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propyl ester Formula: C30H41ClO9 MolecularWeight: 581.09414

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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(C)C

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(C)C

InChI

InChI=1S/C30H41ClO9/c1-6-13-37-26(36)40-29(24(34)17-39-25(35)38-16-18(2)3)12-10-21-22-8-7-19-14-20(32)9-11-27(19,4)30(22,31)23(33)15-28(21,29)5/h9,11,14,18,21-23,33H,6-8,10,12-13,15-17H2,1-5H3/t21-,22-,23?,27-,28-,29-,30-/m0/s1