Molecule ID: 44602442

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

Description: The molecule is a germacranolide derived from laurenobiolide by deacetylation. It has a role as an allergen and a metabolite. It derives from a laurenobiolide.

SMILES: C=C1C(=O)OC2C/C(C)=C/CC/C(C)=C/[C@H](O)C12

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

InChI: InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h6-7,12-14,16H,3-5,8H2,1-2H3/b9-7+,10-6+/t12-,13?,14?/m0/s1

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 1.9