TPCN01375

Name 4??-hydroxy kamolonol acetate
Molecular Formula C26H32O7
Molecular Weight 456.54
CAS Registry Number 1810050-58-8
SMILES CC(=O)OC1CC(C)C(C)(COc2ccc3ccc(=O)oc3c2)C2CCC(=O)C(C)(O)C12C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Ferula pseudalliacea Roots 0.000600% Planta Med 80(13): 1118-1123.(2014) 10.1055/s-0034-1382996
Properties
HBA 7 HBD 1
HeavyAtoms 33 AlogP 3.89
TPSA 103.04 RotatableBonds 4
FractionCSP3 0.58 Rings 4
AromaticRings 2 AliphaticRings 2