TPCN01092

Name Pallidones H;Kopetdaghins C
Molecular Formula C25H32O6
Molecular Weight 428.53
CAS Registry Number 265662-39-3
SMILES COc1ccc(C(=O)C2C(=O)OC(C)(CCC=C(C)CC(=O)C=C(C)C)C2C)c(O)c1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Dorema kopetdaghense Aerial parts 0.002571% J Nat Prod 70(8): 1240-1243.(2007) 10.1021/np070043u
Apiaceae Ferula pallida Roots 0.000688% J Nat Prod 63(4): 520-522.(2000) 10.1021/np9904298
Properties
HBA 6 HBD 1
HeavyAtoms 31 AlogP 4.80
TPSA 89.90 RotatableBonds 9
FractionCSP3 0.48 Rings 2
AromaticRings 1 AliphaticRings 1