[(8S,9R,10S,13S,14S,16R,17R)-9-chloranyl-17-(2-methoxycarbonyloxyethanoyl)-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-methoxycarbonyloxyethanoyl)-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-11-hydroxy-17-(2-methoxycarbonyloxyacetyl)-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-11-hydroxy-17-(2-methoxycarbonyloxy-1-oxoethyl)-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-11-hydroxy-17-(2-methoxycarbonyloxyacetyl)-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] methyl ester Formula: C30H41ClO9 MolecularWeight: 581.09414

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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)OC

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)OC

InChI

InChI=1S/C30H41ClO9/c1-6-7-8-13-38-26(36)40-30(24(34)17-39-25(35)37-5)18(2)14-22-21-10-9-19-15-20(32)11-12-27(19,3)29(21,31)23(33)16-28(22,30)4/h11-12,15,18,21-23,33H,6-10,13-14,16-17H2,1-5H3/t18-,21+,22+,23?,27+,28+,29+,30+/m1/s1