TPCN04515

Name Lantanilic acid
Molecular Formula C35H52O6
Molecular Weight 568.80
CAS Registry Number 60657-41-2
SMILES CC(C)=CC(=O)OC1CC(C)(C)CC2C3=CCC4C56CCC(O)(OC5)C(C)(C)C6CCC4(C)C3(C)CCC12C(=O)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Verbenaceae Lantana montevidensis Leaves 0.000400% Nat Prod Res 27(21): 2046-2052. 10.1080/14786419.2013.824443
Properties
HBA 6 HBD 2
HeavyAtoms 41 AlogP 7.06
TPSA 93.06 RotatableBonds 3
FractionCSP3 0.83 Rings 7
AromaticRings 0 AliphaticRings 7