TPCN03761

Name Meliavolkenin
Molecular Formula C41H58O10
Molecular Weight 710.91
CAS Registry Number 165905-04-4
SMILES CC(=O)OC1CC2C(C)(C)C(OC(=O)c3ccccc3)CC(OC(C)=O)C2(C)C2CCC3(C)C(=CCC3C3CC(C(O)C(C)(C)O)OC3O)C12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Melia volkensii Barks 0.000800% Bioorg Med Chem 3, 383-390 (1995). 10.1016/0968-0896(95)00034-e
Properties
HBA 10 HBD 3
HeavyAtoms 51 AlogP 5.76
TPSA 148.82 RotatableBonds 7
FractionCSP3 0.73 Rings 6
AromaticRings 1 AliphaticRings 5