(3S,5R,10S,13R,14S,17S)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,12,14,17-octahydrocyclopenta[a]phenanthren-3-ol

Systemtic Name: (3S,5R,10S,13R,14S,17S)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,12,14,17-octahydrocyclopenta[a]phenanthren-3-ol Openeye Name: (3S,5R,10S,13R,14S,17S)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13-tetramethyl-1,2,3,5,6,12,14,17-octahydrocyclopenta[a]phenanthren-3-ol CAS Name: (3S,5R,10S,13R,14S,17S)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,12,14,17-octahydrocyclopenta[a]phenanthren-3-ol IUPAC Name: (3S,5R,10S,13R,14S,17S)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,12,14,17-octahydrocyclopenta[a]phenanthren-3-ol Traditional Name: (3S,5R,10S,13R,14S,17S)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13-tetramethyl-1,2,3,5,6,12,14,17-octahydrocyclopenta[a]phenanthren-3-ol Formula: C29H46O MolecularWeight: 410.67494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1C=CC2C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1C=C[C@H]2[C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)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/h11-13,15,19-20,22-23,25-26,30H,8-10,14,16-18H2,1-7H3/t20-,22-,23-,25+,26+,28-,29-/m1/s1