TPCN05216

Name Lantigdienone
Molecular Formula C34H48O5
Molecular Weight 536.75
CAS Registry Number 1248348-94-8
SMILES CC(C)=CC(=O)OC1CC(C)(C)CC2=C1CCC1(C)C2=CC(=O)C2C34CCC(O)(OC3)C(C)(C)C4CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Verbenaceae Lantana camara Aerial parts 0.000040% Nat Prod Res 24, 1227-1234 (2010) 10.1080/14786410903034082
Properties
HBA 5 HBD 1
HeavyAtoms 39 AlogP 6.85
TPSA 72.83 RotatableBonds 2
FractionCSP3 0.76 Rings 7
AromaticRings 0 AliphaticRings 7