TPCN01284

Name 11??,13dihydro-19-desoxycnicin
Molecular Formula C20H28O6
Molecular Weight 364.44
CAS Registry Number 146018-82-8
SMILES C=C(CCO)C(=O)OC1CC(C)=CCCC(CO)=CC2OC(=O)C(C)C21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Centaurea pullata Aerial parts 0.000950% J Nat Prod 70(11): 1796-1799.(2007) 10.1021/np070125i
Properties
HBA 6 HBD 2
HeavyAtoms 26 AlogP 2.06
TPSA 93.06 RotatableBonds 5
FractionCSP3 0.60 Rings 2
AromaticRings 0 AliphaticRings 2