TPCN04356

Name 1??,2??,19??-Trihydroxy-3-oxo-12-ursen-28-oic acid
Molecular Formula C30H46O6
Molecular Weight 502.69
CAS Registry Number 352652-52-9
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(=O)C(C)(C)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Eriobotrya deflexa Leaves 0.001200% J Nat Prod 64(7): 865-869. 10.1021/np0100237
Properties
HBA 6 HBD 4
HeavyAtoms 36 AlogP 4.35
TPSA 115.06 RotatableBonds 1
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5