TPCN01213

Name 8beta-angeloyloxy-9alpha-hydroxy-14-oxo-acanthospermolide
Molecular Formula C20H24O6
Molecular Weight 360.41
CAS Registry Number 91652-49-2
SMILES C=C1C(=O)OC2C=C(C)CCC=C(C=O)C(O)C(OC(=O)C(C)=CC)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Smallanthus sonchifolius Leaves 0.001286% Phytochemistry 117: 332-339.(2015) 10.1016/j.phytochem.2015.06.020
Properties
HBA 6 HBD 1
HeavyAtoms 26 AlogP 2.19
TPSA 89.90 RotatableBonds 3
FractionCSP3 0.45 Rings 2
AromaticRings 0 AliphaticRings 2