TPCN00998

Name Acetylbritannilactone;1-acetoxy-6alpha-hydroxyeriolanolide
Molecular Formula C17H24O5
Molecular Weight 308.37
CAS Registry Number 33627-41-7
SMILES C=C1C(=O)OC2CC(C)=C(C(C)CCCOC(C)=O)C(O)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Malvaceae Inula britannica Aerial parts 0.004447% Planta Med 72(1): 40-45.(2006) 10.1055/s-2005-873189
Asteraceae Inula britannica Flowers 0.000011% J Nat Prod 69, 531-535.(2006) 10.1021/np050437q
Properties
HBA 5 HBD 1
HeavyAtoms 22 AlogP 2.14
TPSA 72.83 RotatableBonds 5
FractionCSP3 0.65 Rings 2
AromaticRings 0 AliphaticRings 2