TPCN06349

Name Meliazedarine B
Molecular Formula C39H48O11
Molecular Weight 692.80
CAS Registry Number 872357-63-6
SMILES COC(=O)CC1C(C)(C2=C(C)C(c3ccoc3)CC2OC)C(OC(=O)c2ccccc2)C2OCC3(C)C(OC(C)=O)CC(OC(C)=O)C1(C)C23
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Melia azedarach Fruits 0.000489% None 10.1021/acs.jnatprod.9b01151
Properties
HBA 11 HBD 0
HeavyAtoms 50 AlogP 5.82
TPSA 136.80 RotatableBonds 9
FractionCSP3 0.59 Rings 6
AromaticRings 2 AliphaticRings 4