(9S,10R,13R,14R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one

Systemtic Name: (9S,10R,13R,14R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one Openeye Name: (9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13-tetramethyl-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one CAS Name: (9S,10R,13R,14R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one IUPAC Name: (9S,10R,13R,14R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one Traditional Name: (9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13-tetramethyl-2,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one Formula: C29H46O MolecularWeight: 410.67494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(=O)C4(C)C)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CCC(=O)C4(C)C)C)C

InChI

InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h11,14,19-20,22-24H,8-10,12-13,15-18H2,1-7H3/t20-,22-,23+,24+,28-,29-/m1/s1