6-[(9S,11S,13S,14S,17S)-8-ethenyl-13-methyl-3,17-bis(oxidanyl)-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl]hexyl thiocyanate

Systemtic Name: 6-[(9S,11S,13S,14S,17S)-8-ethenyl-13-methyl-3,17-bis(oxidanyl)-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl]hexyl thiocyanate Openeye Name: 6-[(9S,11S,13S,14S,17S)-3,17-dihydroxy-13-methyl-8-vinyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl]hexyl thiocyanate CAS Name: thiocyanic acid 6-[(9S,11S,13S,14S,17S)-8-ethenyl-3,17-dihydroxy-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl]hexyl ester IUPAC Name: 6-[(9S,11S,13S,14S,17S)-8-ethenyl-3,17-dihydroxy-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl]hexyl thiocyanate Traditional Name: thiocyanic acid 6-[(9S,11S,13S,14S,17S)-3,17-dihydroxy-13-methyl-8-vinyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl]hexyl ester Formula: C27H37NO2S MolecularWeight: 439.65318

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C4=C(CCC3(C1CCC2O)C=C)C=C(C=C4)O)CCCCCCSC#N

Isomeric SMILES

C[C@]12C[C@@H]([C@@H]3C4=C(CCC3([C@@H]1CC[C@@H]2O)C=C)C=C(C=C4)O)CCCCCCSC#N

InChI

InChI=1S/C27H37NO2S/c1-3-27-14-13-19-16-21(29)9-10-22(19)25(27)20(8-6-4-5-7-15-31-18-28)17-26(2)23(27)11-12-24(26)30/h3,9-10,16,20,23-25,29-30H,1,4-8,11-15,17H2,2H3/t20-,23+,24-,25+,26-,27?/m0/s1