(3R,5S,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one

Systemtic Name: (3R,5S,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one Openeye Name: (3R,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,10,13-trimethyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one CAS Name: (3R,5S,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one IUPAC Name: (3R,5S,8R,9S,10S,13R,14S,17R)-3,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one Traditional Name: (3R,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,10,13-trimethyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one Formula: C28H48O MolecularWeight: 400.68012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2CCC3C4CCC(C4(CCC3C2(CC1=O)C)C)C(C)CCCC(C)C

Isomeric SMILES

C[C@@H]1C[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CC1=O)C)C)[C@H](C)CCCC(C)C

InChI

InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-21-16-20(4)26(29)17-28(21,6)25(22)14-15-27(23,24)5/h18-25H,7-17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,27-,28+/m1/s1