TPCN01740

Name Vermiculone
Molecular Formula C17H22O5
Molecular Weight 306.36
CAS Registry Number 869558-64-5
SMILES CC(=O)OC1CC(C)=C2C(=O)C=C(C)C2C2OC(O)C(C)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Achillea vermicularis Whole plants 0.000155% Nat Prod Res 19, 551-559(2005) 10.1080/14786410410001715604
Properties
HBA 5 HBD 1
HeavyAtoms 22 AlogP 1.75
TPSA 72.83 RotatableBonds 1
FractionCSP3 0.65 Rings 3
AromaticRings 0 AliphaticRings 3