TPCN03911

Name Aphanamgrandin K
Molecular Formula C30H46O3
Molecular Weight 454.70
CAS Registry Number 1392308-55-2
SMILES CC(CC=CC(C)(C)O)C1CCC2(C)C3=CC(=O)C4C(C)(C)C(=O)CCC4(C)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Aphanamixis grandifolia Stems 0.000337% Phytochemistry 80, 148-155 (2012). 10.1016/j.phytochem.2012.05.017
Properties
HBA 3 HBD 1
HeavyAtoms 33 AlogP 6.69
TPSA 54.37 RotatableBonds 4
FractionCSP3 0.80 Rings 4
AromaticRings 0 AliphaticRings 4