TPCN01265

Name Neobritannilactone B
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 886990-00-7
SMILES C=C1C(=O)OC2C=C(C)CCC=C(C)CC(O)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula britannica Flowers 0.001020% J Nat Prod 69, 531-535.(2006) 10.1021/np050437q
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.52
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.53 Rings 2
AromaticRings 0 AliphaticRings 2