Molecule ID: 6443020

IUPAC Name: 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol

Description: The molecule is a cembrane diterpenoid obtained by regio- and stereoselective hydration of the exocyclic double bond of cembrene C. It has a role as a bacterial metabolite and a coral metabolite. It is a macrocycle, a cembrane diterpenoid, a tertiary alcohol and an olefinic compound. It derives from a cembrene C.

SMILES: C/C1=C\CC/C(C)=C/C[C@H](C(C)(C)O)CC/C(C)=C/CC1

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

InChI: InChI=1S/C20H34O/c1-16-8-6-10-17(2)12-14-19(20(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,19,21H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t19-/m0/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 4.4