TPCN01180

Name Fukaneketoester A
Molecular Formula C12H14O5
Molecular Weight 238.24
CAS Registry Number 850622-00-3
SMILES CCCCOC(=O)C(=O)c1ccc(O)cc1O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ferula fukanensis Roots 0.001512% J Nat Prod 68(3): 365-368.(2005) 10.1021/np040215c
Properties
HBA 5 HBD 2
HeavyAtoms 17 AlogP 1.62
TPSA 83.83 RotatableBonds 5
FractionCSP3 0.33 Rings 1
AromaticRings 1 AliphaticRings 0