Molecule ID: 10857465

IUPAC Name: (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran

Description: The molecule is a diterpenoid derived from sclareol that is responsible for the odour of ambergris (a solid, waxy, flammable substance produced in the digestive system of sperm whales). It is an organic heterotricyclic compound and a diterpenoid.

SMILES: CC1(C)CCC[C@]2(C)[C@H]3CCO[C@]3(C)CC[C@@H]12

SELFIES: [C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][C@H1][C][C][O][C@][Ring1][Branch1][Branch1][C][C][C][C][C@@H1][Ring1][S][Ring1][O]

InChI: InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1

Molecular Properties:
- Polar Surface Area: 9.2 Ų
- LogP: 4.7