TPCN01163

Name 1beta-hydroxy-3beta-acetoxy-eudesm-4(15), 11(13)-dien-12-8beta-olide
Molecular Formula C17H22O5
Molecular Weight 306.36
CAS Registry Number 326003-05-8
SMILES C=C1C(=O)OC2CC3(C)C(O)CC(OC(C)=O)C(=C)C3CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula montana Aerial parts 0.001659% Z Naturforsch C J Biosci 55(9-10): 697-700.(2000) 10.1515/znc-2000-9-1005
Properties
HBA 5 HBD 1
HeavyAtoms 22 AlogP 1.75
TPSA 72.83 RotatableBonds 1
FractionCSP3 0.65 Rings 3
AromaticRings 0 AliphaticRings 3