Molecule ID: 14466152

IUPAC Name: (3aS,4R,5E,9S,10Z,11aS)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one

Description: The molecule is a germacrane sesquiterpenoid in which the 10-membered ring contains one E- and one Z- double bond and is fused to a 3-methylenedihydrofuran-2(3H)-one moiety. It has been isolated from Artemesia arbuscala, Anthemis altissima and Tanacetum vulgare. It has a role as a metabolite. It is an organic heterobicyclic compound, a gamma-lactone, a diol and a germacrane sesquiterpenoid.

SMILES: C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)CC/C(C)=C/[C@@H](O)[C@H]12

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

InChI: InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6-7,11-14,16-17H,3-5H2,1-2H3/b8-6+,9-7-/t11-,12+,13-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 0.6