TPCN03993

Name Aphanamgrandins H
Molecular Formula C30H48O4
Molecular Weight 472.71
CAS Registry Number 1392308-52-9
SMILES COC(=O)CCC1(C)C(C(C)=O)CC=C2C1CCC1(C)C(C(C)CC(=O)CC(C)C)CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Aphanamixis grandifolia Stems 0.000185% Phytochemistry 80, 148-155 (2012). 10.1016/j.phytochem.2012.05.017
Properties
HBA 4 HBD 0
HeavyAtoms 34 AlogP 6.96
TPSA 60.44 RotatableBonds 9
FractionCSP3 0.83 Rings 3
AromaticRings 0 AliphaticRings 3