[(8R,11S,13S,17S)-8-ethenyl-13-methyl-17-oxidanyl-11-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate

Systemtic Name: [(8R,11S,13S,17S)-8-ethenyl-13-methyl-17-oxidanyl-11-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate Openeye Name: [(8R,11S,13S,17S)-17-hydroxy-13-methyl-11-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-vinyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate CAS Name: sulfamic acid [(8R,11S,13S,17S)-8-ethenyl-17-hydroxy-13-methyl-11-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(8R,11S,13S,17S)-8-ethenyl-17-hydroxy-13-methyl-11-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate Traditional Name: sulfamic acid [(8R,11S,13S,17S)-17-hydroxy-13-methyl-11-[4-(2-pyrrolidinoethoxy)phenyl]-8-vinyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C32H42N2O5S MolecularWeight: 566.75128

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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)C5=CC=C(C=C5)OCCN6CCCC6

Isomeric SMILES

C[C@]12C[C@@H](C3C4=C(CC[C@]3(C1CC[C@@H]2O)C=C)C=C(C=C4)OS(=O)(=O)N)C5=CC=C(C=C5)OCCN6CCCC6

InChI

InChI=1S/C32H42N2O5S/c1-3-32-15-14-23-20-25(39-40(33,36)37)10-11-26(23)30(32)27(21-31(2)28(32)12-13-29(31)35)22-6-8-24(9-7-22)38-19-18-34-16-4-5-17-34/h3,6-11,20,27-30,35H,1,4-5,12-19,21H2,2H3,(H2,33,36,37)/t27-,28?,29+,30?,31+,32+/m1/s1