TPCN01397

Name Tunetanin A
Molecular Formula C28H38O6
Molecular Weight 470.61
CAS Registry Number 1225016-53-4
SMILES CC=C(C)C(=O)OC1CC(O)(C(C)C)C2C(OC(=O)c3ccc(OC)cc3)CC(C)=CCC12C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ferula tunetana Roots 0.000556% Chem Biodivers 7(2): 392-399.(2010) 10.1002/cbdv.200900025
Properties
HBA 6 HBD 1
HeavyAtoms 34 AlogP 5.25
TPSA 82.06 RotatableBonds 6
FractionCSP3 0.57 Rings 3
AromaticRings 1 AliphaticRings 2