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

Systemtic Name: [(8S,9R,10S,13S,14S,16R,17R)-9-chloranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propyl carbonate Openeye Name: [(8S,9R,10S,13S,14S,16R,17R)-9-chloro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-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,16R,17R)-9-chloro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propyl ester IUPAC Name: [(8S,9R,10S,13S,14S,16R,17R)-9-chloro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-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,16R,17R)-9-chloro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propyl ester Formula: C26H35ClO7 MolecularWeight: 495.0049

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)C(=O)CO

Isomeric SMILES

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

InChI

InChI=1S/C26H35ClO7/c1-5-10-33-22(32)34-26(21(31)14-28)15(2)11-19-18-7-6-16-12-17(29)8-9-23(16,3)25(18,27)20(30)13-24(19,26)4/h8-9,12,15,18-20,28,30H,5-7,10-11,13-14H2,1-4H3/t15-,18+,19+,20?,23+,24+,25+,26+/m1/s1