TPCN04682

Name 19??,24-dihydroxyurs-12-ene-3-keto-28-oic acid
Molecular Formula C30H46O5
Molecular Weight 486.69
CAS Registry Number 348149-64-4
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(CO)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex rotunda Barks 0.000111% Chem Biodivers 14(2). 10.1002/cbdv.201600209
Properties
HBA 5 HBD 3
HeavyAtoms 35 AlogP 5.39
TPSA 94.83 RotatableBonds 2
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5