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

Systemtic Name: 6-[(8R,11S,13S,17S)-8-ethenyl-13-methyl-3,17-bis(oxidanyl)-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl]hexanenitrile Openeye Name: 6-[(8R,11S,13S,17S)-3,17-dihydroxy-13-methyl-8-vinyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl]hexanenitrile CAS Name: 6-[(8R,11S,13S,17S)-8-ethenyl-3,17-dihydroxy-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl]hexanenitrile IUPAC Name: 6-[(8R,11S,13S,17S)-8-ethenyl-3,17-dihydroxy-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl]hexanenitrile Traditional Name: 6-[(8R,11S,13S,17S)-3,17-dihydroxy-13-methyl-8-vinyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-11-yl]hexanenitrile Formula: C26H35NO2 MolecularWeight: 393.5616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@]12C[C@@H](C3C4=C(CC[C@]3(C1CC[C@@H]2O)C=C)C=C(C=C4)O)CCCCCC#N

InChI

InChI=1S/C26H35NO2/c1-3-26-14-13-18-16-20(28)9-10-21(18)24(26)19(8-6-4-5-7-15-27)17-25(2)22(26)11-12-23(25)29/h3,9-10,16,19,22-24,28-29H,1,4-8,11-14,17H2,2H3/t19-,22?,23-,24?,25-,26-/m0/s1