TPCN01231

Name Sanandajin
Molecular Formula C39H52O5
Molecular Weight 600.84
CAS Registry Number 1379609-43-4
SMILES C=C1CCC2C(C)=CCC(C(C)COC(=O)CCC3C(=C(C)C)CCC(C)C3(C)COc3ccc4ccc(=O)oc4c3)C2C1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Ferula pseudalliacea Roots 0.001200% Phytochemistry 78: 170-178.(2012) 10.1016/j.phytochem.2012.02.016
Properties
HBA 5 HBD 0
HeavyAtoms 44 AlogP 9.46
TPSA 65.74 RotatableBonds 9
FractionCSP3 0.59 Rings 5
AromaticRings 2 AliphaticRings 3