TPCN01324

Name 11??,13 dihydrosalonitenolide
Molecular Formula C15H22O4
Molecular Weight 266.34
CAS Registry Number 145400-00-6
SMILES CC1=CCCC(CO)=CC2OC(=O)C(C)C2C(O)C1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Centaurea pullata Aerial parts 0.000742% Bioorg Med Chem 16(7): 3725-3731.(2008) 10.1016/j.bmc.2008.01.056
Properties
HBA 4 HBD 2
HeavyAtoms 19 AlogP 1.57
TPSA 66.76 RotatableBonds 1
FractionCSP3 0.67 Rings 2
AromaticRings 0 AliphaticRings 2