TPCN03831

Name Aphanamgrandins D
Molecular Formula C30H46O5
Molecular Weight 486.69
CAS Registry Number 1392308-48-3
SMILES CC(C)=CC(=O)CC(C)C1CCC2(C)C3=CCC4C(C)(C(=O)O)COC(O)CC4(C)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Aphanamixis grandifolia Stems 0.000521% Phytochemistry 80, 148-155 (2012). 10.1016/j.phytochem.2012.05.017
Properties
HBA 5 HBD 2
HeavyAtoms 35 AlogP 6.16
TPSA 83.83 RotatableBonds 5
FractionCSP3 0.80 Rings 4
AromaticRings 0 AliphaticRings 4