Molecule ID: 21593535

IUPAC Name: (1S,2S,4aS,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol

Description: The molecule is a eudesmane sesquiterpenoid that is 4a-methyl-8-methylidene-decahydronaphthalene carrying additional hydroxy and isopropyl substituents at positions 1 and 2 respectively (the 1S,2S,4aS,8aS-diastereomer). It is a eudesmane sesquiterpenoid, a secondary alcohol and a homoallylic alcohol.

SMILES: C=C1CCC[C@@]2(C)CC[C@@H](C(C)C)[C@H](O)[C@@H]12

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

InChI: InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13+,14-,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 4.2