[(8S,9R,10S,13S,14S,17R)-9-chloranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-17-(2-propan-2-yloxycarbonyloxyethanoyl)-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-11-oxidanyl-3-oxidanylidene-17-(2-propan-2-yloxycarbonyloxyethanoyl)-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] isopropyl carbonate CAS Name: carbonic acid [(8S,9R,10S,13S,14S,17R)-9-chloro-11-hydroxy-10,13-dimethyl-3-oxo-17-[1-oxo-2-[oxo(propan-2-yloxy)methoxy]ethyl]-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-3-oxo-17-(2-propan-2-yloxycarbonyloxyacetyl)-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-isopropoxycarbonyloxyacetyl)-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propyl ester Formula: C29H39ClO9 MolecularWeight: 567.06756

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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)OC(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)OC(C)C

InChI

InChI=1S/C29H39ClO9/c1-6-13-36-25(35)39-28(23(33)16-37-24(34)38-17(2)3)12-10-20-21-8-7-18-14-19(31)9-11-26(18,4)29(21,30)22(32)15-27(20,28)5/h9,11,14,17,20-22,32H,6-8,10,12-13,15-16H2,1-5H3/t20-,21-,22?,26-,27-,28-,29-/m0/s1