TPCN04148

Name Aphanamgrandins E
Molecular Formula C31H45NO3
Molecular Weight 479.71
CAS Registry Number 1392308-49-4
SMILES CC(C)=CC(=O)CC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=O)C(=CNC=O)C4(C)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Aphanamixis grandifolia Stems 0.000032% Phytochemistry 80, 148-155 (2012). 10.1016/j.phytochem.2012.05.017
Properties
HBA 4 HBD 1
HeavyAtoms 35 AlogP 6.57
TPSA 63.24 RotatableBonds 6
FractionCSP3 0.71 Rings 4
AromaticRings 0 AliphaticRings 4