TPCN06036

Name 2??,3??,24-trihydroxyurs-12-en-28-oic acid
Molecular Formula C30H48O5
Molecular Weight 488.71
CAS Registry Number 89786-83-4
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Cerasus serrulata Leaves 0.002222% Chem Pharm Bull (Tokyo) . 2004 Jan;52(1):157-9 10.1248/cpb.52.157
Properties
HBA 5 HBD 4
HeavyAtoms 35 AlogP 5.03
TPSA 97.99 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5