[(8R,9S,13S,14S)-13-ethyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] N-ethanoylsulfamate

Systemtic Name: [(8R,9S,13S,14S)-13-ethyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] N-ethanoylsulfamate Openeye Name: [(8R,9S,13S,14S)-13-ethyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] N-acetylsulfamate CAS Name: N-acetylsulfamic acid [(8R,9S,13S,14S)-13-ethyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(8R,9S,13S,14S)-13-ethyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] N-acetylsulfamate Traditional Name: N-acetylsulfamic acid [(8R,9S,13S,14S)-13-ethyl-17-keto-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)NC(=O)C

Isomeric SMILES

CC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)NC(=O)C

InChI

InChI=1S/C21H27NO5S/c1-3-21-11-10-17-16-7-5-15(27-28(25,26)22-13(2)23)12-14(16)4-6-18(17)19(21)8-9-20(21)24/h5,7,12,17-19H,3-4,6,8-11H2,1-2H3,(H,22,23)/t17-,18-,19+,21+/m1/s1