Molecule ID: 91884956

IUPAC Name: (3R,3aR,4S,7R,7aR)-4,7a-dimethyl-3-(2-methylprop-1-enyl)-2,3,3a,5,6,7-hexahydro-1H-indene-4,7-diol

Description: The molecule is a sesquiterpenoid that is perhydroindane which is substituted by a (2-methylprop-1-en-1-yl) group at position 1, methyl groups at positions 3a and 7, and hydroxy groups at positions 4 and 7 (the 1R,3aR,4R,7S,7aR stereoisomer). It has a role as a plant metabolite. It is a carbobicyclic compound, a sesquiterpenoid, a diol, a tertiary alcohol, a secondary alcohol and an olefinic compound.

SMILES: CC(C)=C[C@H]1CC[C@@]2(C)[C@H](O)CC[C@](C)(O)[C@H]12

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

InChI: InChI=1S/C15H26O2/c1-10(2)9-11-5-7-14(3)12(16)6-8-15(4,17)13(11)14/h9,11-13,16-17H,5-8H2,1-4H3/t11-,12-,13-,14+,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 3.0