TPCN04106

Name Aphanamgrandin J
Molecular Formula C30H46O3
Molecular Weight 454.70
CAS Registry Number 1392308-54-1
SMILES C=C(C)C1CC=C2C(CCC3(C)C(C(C)CC(=O)C=C(C)C)CCC23C)C1(C)CCC(=O)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Aphanamixis grandifolia Stems 0.000063% Phytochemistry 80, 148-155 (2012). 10.1016/j.phytochem.2012.05.017
Properties
HBA 3 HBD 1
HeavyAtoms 33 AlogP 7.77
TPSA 54.37 RotatableBonds 8
FractionCSP3 0.73 Rings 3
AromaticRings 0 AliphaticRings 3