Molecule ID: 71430886

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

Description: The molecule is a sesqiterpenoid that is octahydro-1H-indene which is substituted by a 2-hydroxy-2-methylpropyl 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 been isolated from various Homalomena species. It has a role as a plant metabolite. It is a sesquiterpenoid, a carbobicyclic compound, a secondary alcohol, a tertiary alcohol and a triol. It derives from an oppsit-4(15)-ene-1beta,11-diol.

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

SELFIES: [C][C][Branch1][C][C][Branch1][C][O][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/C15H28O3/c1-13(2,17)9-10-5-7-14(3)11(16)6-8-15(4,18)12(10)14/h10-12,16-18H,5-9H2,1-4H3/t10-,11-,12-,14+,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 60.7 Ų
- LogP: 1.8