TPCN04932

Name 22??-dimethylacryloyloxylantanolic acid
Molecular Formula C35H54O4
Molecular Weight 538.81
CAS Registry Number 190851-57-1
SMILES CC(C)=CC(=O)OC1CC(C)(C)CC2C3=CCC4C56CCC(O)(OC5)C(C)(C)C6CCC4(C)C3(C)CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Verbenaceae Lantana camara Leaves 0.005500% Phytochemistry 45, 321-324 (1997). 10.1016/s0031-9422(96)00805-9
Properties
HBA 4 HBD 1
HeavyAtoms 39 AlogP 7.99
TPSA 55.76 RotatableBonds 2
FractionCSP3 0.86 Rings 7
AromaticRings 0 AliphaticRings 7