[(8S,9R,10S,13S,14S,16R,17R)-9-chloranyl-10,13,16-trimethyl-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,16R,17R)-9-chloranyl-10,13,16-trimethyl-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: [(8S,9R,10S,13S,14S,16R,17R)-9-chloro-11-hydroxy-17-(2-isobutoxycarbonyloxyacetyl)-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-10,13,16-trimethyl-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,16R,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-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,16R,17R)-9-chloro-11-hydroxy-17-(2-isobutoxycarbonyloxyacetyl)-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propyl ester Formula: C31H43ClO9 MolecularWeight: 595.12072

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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)COC(=O)OCC(C)C

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)COC(=O)OCC(C)C

InChI

InChI=1S/C31H43ClO9/c1-7-12-38-27(37)41-31(25(35)17-40-26(36)39-16-18(2)3)19(4)13-23-22-9-8-20-14-21(33)10-11-28(20,5)30(22,32)24(34)15-29(23,31)6/h10-11,14,18-19,22-24,34H,7-9,12-13,15-17H2,1-6H3/t19-,22+,23+,24?,28+,29+,30+,31+/m1/s1