TPCN04057

Name Aphanamgrandins G
Molecular Formula C29H46O4
Molecular Weight 458.68
CAS Registry Number 1392308-51-8
SMILES CC(=O)C1CC=C2C(CCC3(C)C(C(C)CC(=O)CC(C)C)CCC23C)C1(C)CCC(=O)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Aphanamixis grandifolia Stems 0.000101% Phytochemistry 80, 148-155 (2012). 10.1016/j.phytochem.2012.05.017
Properties
HBA 4 HBD 1
HeavyAtoms 33 AlogP 6.87
TPSA 71.44 RotatableBonds 9
FractionCSP3 0.83 Rings 3
AromaticRings 0 AliphaticRings 3