TPCN00445

Name Paeonilactone A
Molecular Formula C10H14O4
Molecular Weight 198.22
CAS Registry Number 98751-79-2
SMILES CC1C(=O)OC2CC(C)(O)C(=O)CC21
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia lactiflora Roots 0.000277% Fitoterapia, 2014, 98, 124-129. 10.1016/j.fitote.2014.07.017
Properties
HBA 4 HBD 1
HeavyAtoms 14 AlogP 0.28
TPSA 63.60 RotatableBonds 0
FractionCSP3 0.80 Rings 2
AromaticRings 0 AliphaticRings 2