TPCN01197

Name Ketolactone
Molecular Formula C15H12O3
Molecular Weight 240.26
CAS Registry Number 89044-36-0
SMILES CC1=CC(=O)c2c(C)cc3oc(=O)c(C)c-3cc21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Zingiberaceae Curcuma zedoaria Subterraneous stems 0.001400% J Environ Sci Health B 53(2): 135-140.(2018) 10.1080/03601234.2017.1397448
Properties
HBA 3 HBD 0
HeavyAtoms 18 AlogP 2.96
TPSA 47.28 RotatableBonds 0
FractionCSP3 0.20 Rings 3
AromaticRings 0 AliphaticRings 3