TPCN05388

Name Pristimerin
Molecular Formula C30H40O4
Molecular Weight 464.65
CAS Registry Number 1258-84-0
SMILES COC(=O)C1(C)CCC2(C)CCC3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)C4(C)CCC3(C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Maytenus scutioides Barks 0.001833% Bioorg Med Chem. 1996. 4, 815-824. 10.1016/0968-0896(96)00078-8.
Properties
HBA 4 HBD 1
HeavyAtoms 34 AlogP 6.79
TPSA 63.60 RotatableBonds 1
FractionCSP3 0.67 Rings 5
AromaticRings 0 AliphaticRings 5