Molecule ID: 71306377

IUPAC Name: (8R,9S,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Description: The molecule is a triterpene that is an isomer of lanostane obtained by migration of the methyl group from 10 to the 9beta position.

SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4[C@@H](CCCC4(C)C)[C@]3(C)CC[C@]12C

SELFIES: [C][C][Branch1][C][C][C][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C@@H1][C][C][C][C@@H1][Branch1][O][C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C@][Ring1][N][Branch1][C][C][C][C][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C]

InChI: InChI=1S/C30H54/c1-21(2)11-9-12-22(3)23-16-18-30(8)26-15-14-24-25(13-10-17-27(24,4)5)28(26,6)19-20-29(23,30)7/h21-26H,9-20H2,1-8H3/t22-,23-,24?,25-,26-,28+,29-,30+/m1/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 12.1