2-[13-methyl-17-oxidanyl-3-oxidanylidene-11-(4-prop-2-enylphenyl)-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanenitrile

Systemtic Name: 2-[13-methyl-17-oxidanyl-3-oxidanylidene-11-(4-prop-2-enylphenyl)-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanenitrile Openeye Name: 2-[11-(4-allylphenyl)-17-hydroxy-13-methyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile CAS Name: 2-[17-hydroxy-13-methyl-3-oxo-11-(4-prop-2-enylphenyl)-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile IUPAC Name: 2-[17-hydroxy-13-methyl-3-oxo-11-(4-prop-2-enylphenyl)-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile Traditional Name: 2-[11-(4-allylphenyl)-17-hydroxy-3-keto-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile Formula: C29H33NO2 MolecularWeight: 427.57782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C4CCC(=O)C=C4C=CC3C1CCC2(CC#N)O)C5=CC=C(C=C5)CC=C

Isomeric SMILES

CC12CC(C3C4CCC(=O)C=C4C=CC3C1CCC2(CC#N)O)C5=CC=C(C=C5)CC=C

InChI

InChI=1S/C29H33NO2/c1-3-4-19-5-7-20(8-6-19)25-18-28(2)26(13-14-29(28,32)15-16-30)24-11-9-21-17-22(31)10-12-23(21)27(24)25/h3,5-9,11,17,23-27,32H,1,4,10,12-15,18H2,2H3