TPCN05217

Name Ursethoxy acid
Molecular Formula C32H50O4
Molecular Weight 498.75
CAS Registry Number 476616-05-4
SMILES CCOC12CCC3(CO1)C(CCC1(C)C3CC=C3C4C(C)C(C)CCC4(C(=O)O)CCC31C)C2(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Verbenaceae Lantana camara Aerial parts 0.000040% Nat Prod Lett 16, 235-238 (2002) 10.1080/10575630290020523
Properties
HBA 4 HBD 1
HeavyAtoms 36 AlogP 7.47
TPSA 55.76 RotatableBonds 3
FractionCSP3 0.91 Rings 7
AromaticRings 0 AliphaticRings 7