TPCN03970

Name 3??-acetyl-19??-hydrogen-29-aldehyde-27-lupanoic acid
Molecular Formula C32H50O5
Molecular Weight 514.75
CAS Registry Number 2283376-21-4
SMILES CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C(C)C=O)CCC4(C)CCC23C(=O)O)C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Potentilla discolor Whole plants 0.000208% PLoS One 12, e0175502 (2017). 10.1371/journal.pone.0175502
Properties
HBA 5 HBD 1
HeavyAtoms 37 AlogP 6.92
TPSA 80.67 RotatableBonds 4
FractionCSP3 0.91 Rings 5
AromaticRings 0 AliphaticRings 5