TPCN00096

Name Tanaparthin-b-peroxide
Molecular Formula C15H18O5
Molecular Weight 278.30
CAS Registry Number 85799-10-6
SMILES C=C1C(=O)OC2C1CCC(C)(O)C13C=CC(C)(OO1)C23
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Compositae Achillea nobilis Flowers 0.006667% Planta Med, 1995, 61, 83-85. 10.1055/s-2006-958010
Properties
HBA 5 HBD 1
HeavyAtoms 20 AlogP 1.27
TPSA 64.99 RotatableBonds 0
FractionCSP3 0.67 Rings 4
AromaticRings 0 AliphaticRings 4