[(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy sulfamate

Systemtic Name: [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy sulfamate Openeye Name: [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy sulfamate CAS Name: sulfamic acid [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-17-sulfamoyldioxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy sulfamate Traditional Name: sulfamic acid [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy ester Formula: C19H28N2O8S2 MolecularWeight: 477.563952

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OOS(=O)(=O)N)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[17O]OS(=O)(=O)N)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N

InChI

InChI=1S/C19H28N2O8S2/c1-19-8-7-12-13(15(19)5-6-18(19)27-29-31(21,24)25)4-3-11-9-17(28-30(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12-,13+,15-,18-,19-/m0/s1/i27+1