Molecule ID: 129011027

IUPAC Name: 4-(17,18-dihydroxytriacontyl)-2-methyl-2H-furan-5-one

Description: The molecule is an artemoin in which the two hydroxy groups on the C-30 side-chain are located at positions 17 and 18. It has a role as a mouse metabolite, a plant metabolite and a rat metabolite.

SMILES: CCCCCCCCCCCCC(O)C(O)CCCCCCCCCCCCCCCCC1=CC(C)OC1=O

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][Branch1][C][C][O][C][Ring1][=Branch1][=O]

InChI: InChI=1S/C35H66O4/c1-3-4-5-6-7-8-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-12-10-9-11-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 13.5