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

Systemtic Name: [(13S,17S)-17-(hydroxymethyl)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate Openeye Name: [(13S,17S)-17-(hydroxymethyl)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate CAS Name: sulfamic acid [(13S,17S)-17-(hydroxymethyl)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(13S,17S)-17-(hydroxymethyl)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate Traditional Name: sulfamic acid [(13S,17S)-2-methoxy-13-methyl-17-methylol-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C20H29NO5S MolecularWeight: 395.51296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2CO)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@@H]2CO)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N

InChI

InChI=1S/C20H29NO5S/c1-20-8-7-14-15(17(20)6-4-13(20)11-22)5-3-12-9-19(26-27(21,23)24)18(25-2)10-16(12)14/h9-10,13-15,17,22H,3-8,11H2,1-2H3,(H2,21,23,24)/t13-,14?,15?,17?,20-/m1/s1