(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-5,6,7,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile

Systemtic Name: (5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-5,6,7,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile Openeye Name: (5R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-4,4,10,13,14-pentamethyl-5,6,7,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile CAS Name: (5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-5,6,7,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile IUPAC Name: (5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-5,6,7,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile Traditional Name: (5R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-4,4,10,13,14-pentamethyl-5,6,7,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile Formula: C31H49NO MolecularWeight: 451.72686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CC(=C(C4(C)C)O)C#N)C)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC(=C(C4(C)C)O)C#N)C)C)C

InChI

InChI=1S/C31H49NO/c1-20(2)10-9-11-21(3)23-14-16-31(8)25-12-13-26-28(4,5)27(33)22(19-32)18-29(26,6)24(25)15-17-30(23,31)7/h20-21,23,26,33H,9-18H2,1-8H3/t21-,23-,26+,29-,30-,31+/m1/s1