Molecule ID: 86289515

IUPAC Name: (1R,2R,4aS,8aS)-1-[(E)-6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

Description: The molecule is a triterpenoid alcohol that is a constituent of ambergris, an intestinal secretion of the sperm whale Physeter catodon. It has a role as a hypoglycemic agent and a mammalian metabolite. It is a triterpenoid and a tertiary alcohol.

SMILES: C=C1CCCC(C)(C)C1CC/C(C)=C/CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O

SELFIES: [C][=C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][/C][Branch1][C][C][=C][/C][C][C@@H1][C@@][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=Branch2][C][C][C@@][Ring1][=N][Branch1][C][C][O]

InChI: InChI=1S/C30H52O/c1-22(15-16-24-23(2)13-10-18-27(24,3)4)12-9-14-26-29(7)20-11-19-28(5,6)25(29)17-21-30(26,8)31/h12,24-26,31H,2,9-11,13-21H2,1,3-8H3/b22-12+/t24?,25-,26+,29-,30+/m0/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 9.6