Molecule ID: 56600676

IUPAC Name: 2-methyl-6-[(1S,2R,3R,6S,7R)-6-methyl-10-methylidene-3-tricyclo[5.3.0.02,6]decanyl]heptan-4-one

Description: The molecule is a diterpenoid isolated from the Hainan soft coral Lobophytum cristatum. It has a role as a coral metabolite. It is a diterpenoid, a carbotricyclic compound and a ketone.

SMILES: C=C1CC[C@@H]2[C@H]1[C@H]1[C@@H](C(C)CC(=O)CC(C)C)CC[C@]12C

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

InChI: InChI=1S/C20H32O/c1-12(2)10-15(21)11-14(4)16-8-9-20(5)17-7-6-13(3)18(17)19(16)20/h12,14,16-19H,3,6-11H2,1-2,4-5H3/t14?,16-,17-,18+,19-,20+/m1/s1

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 5.1