TPCN04282

Name 2-oxopomolic acid
Molecular Formula C30H46O5
Molecular Weight 486.69
CAS Registry Number 54963-52-9
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Eriobotrya deflexa Leaves 0.002400% J Nat Prod 64(7): 865-869. 10.1021/np0100237
Rosaceae Crataegus azarolus Leaves 0.000200% Nat Prod Commun 11(11): 1637-1639. 10.1177/1934578X1601101103
Properties
HBA 5 HBD 3
HeavyAtoms 35 AlogP 5.38
TPSA 94.83 RotatableBonds 1
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5