TPCN04092

Name Aphanamgrandins B
Molecular Formula C30H44O5
Molecular Weight 484.68
CAS Registry Number 1392308-43-8
SMILES CC(C)CC(=O)CC(C)C1CCC2(C)C1(C)CCC1(C)C3=C(CC4OC412)C1(C)COC(C3)OC1=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Aphanamixis grandifolia Stems 0.000079% Phytochemistry 80, 148-155 (2012). 10.1016/j.phytochem.2012.05.017
Properties
HBA 5 HBD 0
HeavyAtoms 35 AlogP 6.00
TPSA 65.13 RotatableBonds 5
FractionCSP3 0.87 Rings 7
AromaticRings 0 AliphaticRings 7