TPCN05895

Name ??-amyrin 5-phenylpenta-2,4-dienoate
Molecular Formula C41H58O2
Molecular Weight 582.91
CAS Registry Number 54303-80-9
SMILES CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)C=CC=Cc6ccccc6)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Peltastes peltatus Stems 0.255556% Phytochem Anal . Nov-Dec 2004;15(6):339-44 10.1002/pca.774
Properties
HBA 2 HBD 0
HeavyAtoms 43 AlogP 10.99
TPSA 26.30 RotatableBonds 4
FractionCSP3 0.68 Rings 6
AromaticRings 1 AliphaticRings 5