TPCN01508

Name 8??-hydroxy11??,13-dihydro-4-epi-sonchucarpolide
Molecular Formula C15H22O5
Molecular Weight 282.34
CAS Registry Number 202518-97-6
SMILES CC1C(=O)OC2C1C(O)CC1(C)C(O)CCC(C=O)C21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Centaurea pullata Aerial parts 0.000367% Bioorg Med Chem 16(7): 3725-3731.(2008) 10.1016/j.bmc.2008.01.056
Properties
HBA 5 HBD 2
HeavyAtoms 20 AlogP 0.52
TPSA 83.83 RotatableBonds 1
FractionCSP3 0.87 Rings 3
AromaticRings 0 AliphaticRings 3