TPCN00961

Name Uvedalin
Molecular Formula C23H28O9
Molecular Weight 448.47
CAS Registry Number 24694-79-9
SMILES C=C1C(=O)OC2C=C(C)CCC=C(C(=O)OC)C(OC(C)=O)C(OC(=O)C3(C)OC3C)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Cupressaceae Smallanthus sonchifolius Leaves 0.006250% J Agric Food Chem 63(50): 10856-10861.(2015) 10.1021/acs.jafc.5b05229
Properties
HBA 9 HBD 0
HeavyAtoms 32 AlogP 1.94
TPSA 117.73 RotatableBonds 4
FractionCSP3 0.57 Rings 3
AromaticRings 0 AliphaticRings 3