TPCN03693

Name 23-hydroxy betulinic;23-hydroxybetulinic acid
Molecular Formula C30H48O4
Molecular Weight 472.71
CAS Registry Number 85999-40-2
SMILES C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Souliea vaginata Whole plants 0.001120% Chem Pharm Bull (Tokyo) 52, 622-624 (2004). 10.1248/cpb.52.622
Ranunculaceae Souliea vaginata Whole plants 0.000186% Chem Pharm Bull (Tokyo) 52, 622-624 (2004). 10.1248/cpb.52.622
Properties
HBA 4 HBD 3
HeavyAtoms 34 AlogP 6.06
TPSA 77.76 RotatableBonds 3
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5