TPCN05004

Name 3-oxo-olean-12(13),18(19)-dien-29??-carboxylic acid
Molecular Formula C30H44O3
Molecular Weight 452.68
CAS Registry Number 1613020-07-7
SMILES CC1(C(=O)O)C=C2C3=CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Scrophulariaceae Limnophila indica Whole plants 0.001660% Fitoterapia 90, 104-111 (2013) 10.1016/j.fitote.2013.07.012
Properties
HBA 3 HBD 1
HeavyAtoms 33 AlogP 7.36
TPSA 54.37 RotatableBonds 1
FractionCSP3 0.80 Rings 5
AromaticRings 0 AliphaticRings 5