TPCN01796

Name Tagitinin F
Molecular Formula C19H24O6
Molecular Weight 348.40
CAS Registry Number 59979-57-6
SMILES C=C1C(=O)OC2C=C(C)C3(O)C=CC(C)(CC(OC(=O)C(C)C)C12)O3
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Tithonia diversifolia Leaves 0.000108% Molecules 19(5): 6070-6079.(2014) 10.3390/molecules19056070
Properties
HBA 6 HBD 1
HeavyAtoms 25 AlogP 2.04
TPSA 82.06 RotatableBonds 2
FractionCSP3 0.58 Rings 3
AromaticRings 0 AliphaticRings 3