Molecule ID: 14191260

IUPAC Name: (3aS,4R,5E,9R,11aS)-4,9-dihydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one

Description: The molecule is a germacrane sesquiterpenoid found Tanacetum vulgare that is tatridin A in which the double bond at position 9-10 has migrated to position 10-14 and in which the hydroxy group at position 1 has epimerised from alpha- to beta-. It has a role as a metabolite. It is a gamma-lactone, a germacrane sesquiterpenoid, a diol and an organic heterobicyclic compound.

SMILES: C=C1C(=O)O[C@H]2CC(=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/h6,11-14,16-17H,2-5,7H2,1H3/b8-6+/t11-,12-,13+,14+/m1/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 0.8