Molecule ID: 5281514

IUPAC Name: [(1R,2R,4E,9S)-4,11,11-trimethyl-8-methylidene-3-oxo-2-bicyclo[7.2.0]undec-4-enyl] acetate

Description: The molecule is a sesquiterpenoid based on a humulane skeleton. It is a sesquiterpenoid, an acetate ester and a carbobicyclic compound. It derives from a hydride of a humulane.

SMILES: C=C1CC/C=C(\C)C(=O)[C@H](OC(C)=O)[C@@H]2[C@@H]1CC2(C)C

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

InChI: InChI=1S/C17H24O3/c1-10-7-6-8-11(2)15(19)16(20-12(3)18)14-13(10)9-17(14,4)5/h8,13-14,16H,1,6-7,9H2,2-5H3/b11-8+/t13-,14+,16-/m1/s1

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 3.5