TPCN01183

Name 8a-epoxymethacryloyloxy-hirsutinolide-13-O-acetate
Molecular Formula C21H26O9
Molecular Weight 422.43
CAS Registry Number 67667-72-5
SMILES CC(=O)OCC1=C2C(=CC3(C)CCC(O)(O3)C(C)CC2OC(=O)C2(C)CO2)OC1=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Vernonia cinerea Whole plants 0.001500% Chem Pharm Bull (Tokyo) 54(10): 1437-1439.(2006) 10.1248/cpb.54.1437
Properties
HBA 9 HBD 1
HeavyAtoms 30 AlogP 1.29
TPSA 120.89 RotatableBonds 4
FractionCSP3 0.67 Rings 4
AromaticRings 0 AliphaticRings 4