TPCN01173

Name Cumambrin A
Molecular Formula C17H22O5
Molecular Weight 306.36
CAS Registry Number 20482-33-1
SMILES C=C1C(=O)OC2C1C(OC(C)=O)CC(C)(O)C1CC=C(C)C21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Anthemis carpatica Whole plants 0.001579% Z Naturforsch C J Biosci 57(9-10): 769-772.(2002) 10.1515/znc-2002-9-1001
Properties
HBA 5 HBD 1
HeavyAtoms 22 AlogP 1.75
TPSA 72.83 RotatableBonds 1
FractionCSP3 0.65 Rings 3
AromaticRings 0 AliphaticRings 3