TPCN03766

Name 3??-hydroxy-19??-hydrogen-29-aldehyde-27-lupanoic acid
Molecular Formula C30H48O4
Molecular Weight 472.71
CAS Registry Number 2283376-19-0
SMILES CC(C=O)C1CCC2(C)CCC3(C(=O)O)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Malvaceae Hibiscus syriacus Barks 0.000769% J Nat Prod 62, 764-766 (1999). 10.1021/np9804637
Properties
HBA 4 HBD 2
HeavyAtoms 34 AlogP 6.35
TPSA 74.60 RotatableBonds 3
FractionCSP3 0.93 Rings 5
AromaticRings 0 AliphaticRings 5