1-(10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(thiolan-1-ium-1-yl)ethanone

Systemtic Name: 1-(10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(thiolan-1-ium-1-yl)ethanone Openeye Name: 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-tetrahydrothiophen-1-ium-1-yl-ethanone CAS Name: 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(1-thiolan-1-iumyl)ethanone IUPAC Name: 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(thiolan-1-ium-1-yl)ethanone Traditional Name: 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-tetrahydrothiophen-1-ium-1-yl-ethanone Formula: C25H41O2S+ MolecularWeight: 405.65684

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)C[S+]5CCCC5)C)O

Isomeric SMILES

CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)C[S+]5CCCC5)C)O

InChI

InChI=1S/C25H41O2S/c1-24-11-9-18(26)15-17(24)5-6-19-20-7-8-22(25(20,2)12-10-21(19)24)23(27)16-28-13-3-4-14-28/h17-22,26H,3-16H2,1-2H3/q+1