Molecule ID: 122391244

IUPAC Name: (5aR,5bR,7aS,10R,11aS,11bR,13aS,13bR)-5a,5b,8,8,10,11a,13b-heptamethyl-3-propan-2-yl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene

Description: The molecule is a triterpenoid that consists of hop-17(21)-ene carrying an additional methyl substituent at the 2beta-position. It derives from a hop-17(21)-ene.

SMILES: CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](C)CC(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1

SELFIES: [C][C][Branch1][C][C][C][=C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@][Ring2][Ring1][Branch2][Branch1][C][C][C][C][Ring2][Ring1][N]

InChI: InChI=1S/C31H52/c1-20(2)22-12-15-28(6)23(22)13-16-30(8)25(28)10-11-26-29(7)19-21(3)18-27(4,5)24(29)14-17-31(26,30)9/h20-21,24-26H,10-19H2,1-9H3/t21-,24+,25-,26-,28+,29+,30-,31-/m1/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 10.3