TPCN05879

Name 3??,6??,19??-trihydroxy-23-oxo-urs-12-en-28-oic acid
Molecular Formula C30H46O6
Molecular Weight 502.69
CAS Registry Number 131984-82-2
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5C(O)CC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Uncaria macrophylla Barks 0.000020% Molecules. 2012 Jan 5;17(1):504-10. 10.3390/molecules17010504.
Properties
HBA 6 HBD 4
HeavyAtoms 36 AlogP 4.35
TPSA 115.06 RotatableBonds 2
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5