TPCN01604

Name 1??,2??-epoxytagitinin C
Molecular Formula C19H24O7
Molecular Weight 364.39
CAS Registry Number 75247-16-4
SMILES C=C1C(=O)OC2C=C(C)C(=O)C3OC3C(C)(O)CC(OC(=O)C(C)C)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Tithonia diversifolia Leaves 0.000270% Molecules 19(5): 6070-6079.(2014) 10.3390/molecules19056070
Properties
HBA 7 HBD 1
HeavyAtoms 26 AlogP 1.09
TPSA 102.43 RotatableBonds 2
FractionCSP3 0.63 Rings 3
AromaticRings 0 AliphaticRings 3