TPCN01208

Name Piptocarphin D
Molecular Formula C17H22O8
Molecular Weight 354.36
CAS Registry Number 76215-51-5
SMILES CC(=O)OCC1=C2C(=CC3(C)CCC(O)(O3)C(C)(O)CC2O)OC1=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Vernonia cinerea Whole plants 0.001300% Chem Pharm Bull (Tokyo) 54(10): 1437-1439.(2006) 10.1248/cpb.54.1437
Properties
HBA 8 HBD 3
HeavyAtoms 25 AlogP 0.06
TPSA 122.52 RotatableBonds 2
FractionCSP3 0.65 Rings 3
AromaticRings 0 AliphaticRings 3