TPCN01553

Name 1,6-O,O-diacetylbritannilactone
Molecular Formula C19H26O6
Molecular Weight 350.41
CAS Registry Number 1286694-67-4
SMILES C=C1C(=O)OC2CC(C)=C(C(C)CCCOC(C)=O)C(OC(C)=O)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula britannica Flowers 0.000320% J Nat Prod 69, 531-535.(2006) 10.1021/np050437q
Properties
HBA 6 HBD 0
HeavyAtoms 25 AlogP 2.72
TPSA 78.90 RotatableBonds 6
FractionCSP3 0.63 Rings 2
AromaticRings 0 AliphaticRings 2