TPCN01109

Name Methyl galbanate
Molecular Formula C25H32O5
Molecular Weight 412.53
CAS Registry Number 1206911-10-5
SMILES COC(=O)CCC1C(=C(C)C)CCC(C)C1(C)COc1ccc2ccc(=O)oc2c1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Ferula pseudalliacea Roots 0.002300% Phytochemistry 78: 170-178.(2012) 10.1016/j.phytochem.2012.02.016
Properties
HBA 5 HBD 0
HeavyAtoms 30 AlogP 5.51
TPSA 65.74 RotatableBonds 6
FractionCSP3 0.52 Rings 3
AromaticRings 2 AliphaticRings 1