Molecule ID: 13969544

IUPAC Name: (4aS,4bR,7S,8aR,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol

Description: The molecule is an isopimarane diterpenoid that is isopimarane in which the ethyl subtituent at position 13 has undergone formal dehydrogenation to the corresponding vinyl group, and in which the hydrogen at position 8 has been replaced by a hydroxy group. It has been found in the leaves of several plants, including Cryptomeria japonica and Isodon rubescens. It has a role as a plant metabolite, a volatile oil component and an antioxidant. It is an isopimarane diterpenoid, a carbotricyclic compound, a tertiary alcohol and an olefinic compound.

SMILES: C=C[C@@]1(C)CC[C@H]2[C@@](O)(CC[C@H]3C(C)(C)CCC[C@@]32C)C1

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

InChI: InChI=1S/C20H34O/c1-6-18(4)12-8-16-19(5)11-7-10-17(2,3)15(19)9-13-20(16,21)14-18/h6,15-16,21H,1,7-14H2,2-5H3/t15-,16+,18-,19-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 6.1