TPCN01401

Name Eupalinilides A
Molecular Formula C20H25ClO7
Molecular Weight 412.87
CAS Registry Number 757202-06-5
SMILES C=C1C(=O)OC2C1C(OC(=O)C(C)=CCO)CC(O)(CCl)C1C=CC(C)(O)C21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Eupatorium lindleyanum Whole plants 0.000545% J Nat Prod 67(9): 1470-1475.(2004) 10.1021/np040023h
Properties
HBA 7 HBD 3
HeavyAtoms 28 AlogP 0.86
TPSA 113.29 RotatableBonds 4
FractionCSP3 0.60 Rings 3
AromaticRings 0 AliphaticRings 3