TPCN00280

Name Peaonilide
Molecular Formula C17H18O6
Molecular Weight 318.33
CAS Registry Number 297748-87-9
SMILES CC(=O)CC12OCC(COC(=O)c3ccccc3)C1CC(=O)O2
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia delavayi Roots 0.000708% Biosci Biotechnol Biochem, 2000, 64, 1511-1514. 10.1271/bbb.64.1511
Properties
HBA 6 HBD 0
HeavyAtoms 23 AlogP 1.73
TPSA 78.90 RotatableBonds 5
FractionCSP3 0.47 Rings 3
AromaticRings 1 AliphaticRings 2