[(11S,13S,17S)-8-ethenyl-13-methyl-11-(6-morpholin-4-ylhexyl)-17-oxidanyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate

Systemtic Name: [(11S,13S,17S)-8-ethenyl-13-methyl-11-(6-morpholin-4-ylhexyl)-17-oxidanyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate Openeye Name: [(11S,13S,17S)-17-hydroxy-13-methyl-11-(6-morpholinohexyl)-8-vinyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate CAS Name: sulfamic acid [(11S,13S,17S)-8-ethenyl-17-hydroxy-13-methyl-11-[6-(4-morpholinyl)hexyl]-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(11S,13S,17S)-8-ethenyl-17-hydroxy-13-methyl-11-(6-morpholin-4-ylhexyl)-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate Traditional Name: sulfamic acid [(11S,13S,17S)-17-hydroxy-13-methyl-11-(6-morpholinohexyl)-8-vinyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C30H46N2O5S MolecularWeight: 546.76164

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C4=C(CCC3(C1CCC2O)C=C)C=C(C=C4)OS(=O)(=O)N)CCCCCCN5CCOCC5

Isomeric SMILES

C[C@]12C[C@@H](C3C4=C(CCC3(C1CC[C@@H]2O)C=C)C=C(C=C4)OS(=O)(=O)N)CCCCCCN5CCOCC5

InChI

InChI=1S/C30H46N2O5S/c1-3-30-14-13-22-20-24(37-38(31,34)35)9-10-25(22)28(30)23(21-29(2)26(30)11-12-27(29)33)8-6-4-5-7-15-32-16-18-36-19-17-32/h3,9-10,20,23,26-28,33H,1,4-8,11-19,21H2,2H3,(H2,31,34,35)/t23-,26?,27-,28?,29-,30?/m0/s1