TPCN01956

Name 2-keto-5-hydroxyguai-3,11-diene
Molecular Formula C15H22O2
Molecular Weight 234.34
CAS Registry Number 190451-21-9
SMILES C=C(C)C1CCC(C)C2=C(C1)C(C)(O)CC2=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Euphorbiaceae Jatropha integerrima Roots 0.000040% J Nat Prod 72(11): 2024-2027.(2009) 10.1021/np900342b
Properties
HBA 2 HBD 1
HeavyAtoms 17 AlogP 3.02
TPSA 37.30 RotatableBonds 1
FractionCSP3 0.67 Rings 2
AromaticRings 0 AliphaticRings 2