TPCN01559

Name Davidianones C
Molecular Formula C17H16O5
Molecular Weight 300.31
CAS Registry Number 181301-44-0
SMILES COC(OC)c1ccc2c3c1C(=O)C(=O)C(C)=C3OC=C2C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ulmus davidiana Barks 0.000315% Phytochemistry 43(2): 425-430.(1996) 10.1016/0031-9422(96)00279-8
Properties
HBA 5 HBD 0
HeavyAtoms 22 AlogP 2.87
TPSA 61.83 RotatableBonds 3
FractionCSP3 0.29 Rings 3
AromaticRings 1 AliphaticRings 2