[(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-2-oxidanyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]azanium chloride

Systemtic Name: [(2S,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-2-oxidanyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]azanium chloride Openeye Name: [(2S,3S,5S,8R,9S,10S,13S,14S)-2-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]ammonium chloride CAS Name: [(2S,3S,5S,8R,9S,10S,13S,14S)-2-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]ammonium chloride IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S)-2-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]azanium chloride Traditional Name: [(2S,3S,5S,8R,9S,10S,13S,14S)-2-hydroxy-17-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]ammonium chloride Formula: C19H32ClNO2 MolecularWeight: 341.91588

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)CCC4C3(CC(C(C4)[NH3+])O)C.[Cl-]

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)[NH3+])O)C.[Cl-]

InChI

InChI=1S/C19H31NO2.ClH/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2;/h11-16,21H,3-10,20H2,1-2H3;1H/t11-,12-,13-,14-,15-,16-,18-,19-;/m0./s1