TPCN01169

Name Kuhistaferone
Molecular Formula C22H30O6
Molecular Weight 390.48
CAS Registry Number 460060-59-7
SMILES CC(=O)CCC1(C)CCC2(C(C)C)OC(O)C(OC(=O)c3ccc(O)cc3)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Ferula kuhistanica Fruits 0.001600% J Nat Prod 65(9): 1323-1324.(2002) 10.1021/np020020+
Properties
HBA 6 HBD 2
HeavyAtoms 28 AlogP 3.45
TPSA 93.06 RotatableBonds 6
FractionCSP3 0.64 Rings 3
AromaticRings 1 AliphaticRings 2