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

Systemtic Name: (2S)-2-[(3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-3,16-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanenitrile Openeye Name: (2S)-2-[(3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanenitrile CAS Name: (2S)-2-[(3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanenitrile IUPAC Name: (2S)-2-[(3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanenitrile Traditional Name: (2S)-2-[(3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propionitrile Formula: C22H35NO2 MolecularWeight: 345.5188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1C(CC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O

Isomeric SMILES

C[C@H](C#N)[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O

InChI

InChI=1S/C22H35NO2/c1-13(12-23)20-19(25)11-18-16-5-4-14-10-15(24)6-8-21(14,2)17(16)7-9-22(18,20)3/h13-20,24-25H,4-11H2,1-3H3/t13-,14+,15+,16-,17+,18+,19+,20+,21+,22+/m1/s1