TPCN03688

Name 2a,6a-Dihydroxybetulinic acid
Molecular Formula C30H48O5
Molecular Weight 488.71
CAS Registry Number 623907-71-1
SMILES C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5C(O)CC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Melastomataceae Leandra chaetodon Aerial parts 0.001162% Planta Med 69, 582-584 (2003). 10.1055/s-2003-40646
Properties
HBA 5 HBD 4
HeavyAtoms 35 AlogP 5.03
TPSA 97.99 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5