TPCN04784

Name 3-oxo-urs-11,13(18)-dien-28-oic acid
Molecular Formula C30H44O3
Molecular Weight 452.68
CAS Registry Number 2362004-25-7
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=C2C1C)C=CC1C2(C)CCC(=O)C(C)(C)C2CCC13C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ericaceae Rhododendron dauricum Leaves 0.000024% Nat Prod Res: 1-7. 10.1080/14786419.2019.1566822
Properties
HBA 3 HBD 1
HeavyAtoms 33 AlogP 7.22
TPSA 54.37 RotatableBonds 1
FractionCSP3 0.80 Rings 5
AromaticRings 0 AliphaticRings 5