TPCN01616

Name 1-epiisoerivanin
Molecular Formula C15H22O4
Molecular Weight 266.34
CAS Registry Number 32203-46-6
SMILES C=C1C(O)CC(O)C2(C)CCC3C(C)C(=O)OC3C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Solanaceae Lactuca canadensis Roots 0.000263% Phytochemistry 90: 90-94.(2013) 10.1016/j.phytochem.2013.02.005
Properties
HBA 4 HBD 2
HeavyAtoms 19 AlogP 1.26
TPSA 66.76 RotatableBonds 0
FractionCSP3 0.80 Rings 3
AromaticRings 0 AliphaticRings 3