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

Systemtic Name: [(8S,9R,10S,13S,14S,16R,17R)-9-chloranyl-17-(2-ethoxycarbonyloxyethanoyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentyl carbonate Openeye Name: [(8S,9R,10S,13S,14S,16R,17R)-9-chloro-17-(2-ethoxycarbonyloxyacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentyl carbonate CAS Name: carbonic acid [(8S,9R,10S,13S,14S,16R,17R)-9-chloro-17-(2-ethoxycarbonyloxy-1-oxoethyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentyl ester IUPAC Name: [(8S,9R,10S,13S,14S,16R,17R)-9-chloro-17-(2-ethoxycarbonyloxyacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentyl carbonate Traditional Name: carbonic acid [2-[(8S,9R,10S,13S,14S,16R,17R)-17-amoxycarbonyloxy-9-chloro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ethyl ester Formula: C31H43ClO9 MolecularWeight: 595.12072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)C(=O)COC(=O)OCC

Isomeric SMILES

CCCCCOC(=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)COC(=O)OCC

InChI

InChI=1S/C31H43ClO9/c1-6-8-9-14-39-27(37)41-31(25(35)18-40-26(36)38-7-2)19(3)15-23-22-11-10-20-16-21(33)12-13-28(20,4)30(22,32)24(34)17-29(23,31)5/h12-13,16,19,22-24,34H,6-11,14-15,17-18H2,1-5H3/t19-,22+,23+,24?,28+,29+,30+,31+/m1/s1