TPCN01864

Name Coladin
Molecular Formula C26H32O5
Molecular Weight 424.54
CAS Registry Number 28691-96-5
SMILES C=C1CCC2C(C)(C)C(OC(C)=O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ferula tunetana Roots 0.000074% Chem Biodivers 7(2): 392-399.(2010) 10.1002/cbdv.200900025
Properties
HBA 5 HBD 0
HeavyAtoms 31 AlogP 5.51
TPSA 65.74 RotatableBonds 4
FractionCSP3 0.54 Rings 4
AromaticRings 2 AliphaticRings 2