TPCN04099

Name Aphanamgrandiol A
Molecular Formula C30H46O5
Molecular Weight 486.69
CAS Registry Number 1461729-08-7
SMILES CC(C)CC(=O)CC(C)C1CCC2(C)C3=CC4C(O)CC5(C)C4C(C)(CO)C(=O)OC35CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Aphanamixis grandifolia Stems 0.000070% Fitoterapia 86, 217-221 (2013). 10.1016/j.fitote.2013.02.011
Properties
HBA 5 HBD 2
HeavyAtoms 35 AlogP 5.08
TPSA 83.83 RotatableBonds 6
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5