Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:10:38 UTC
Update Date2022-08-31 06:21:42 UTC
Metabolite IDMMDBc0003970
Metabolite Identification
Common Name(+)-ethyl homononactate
Description(+)-ethyl homononactate belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen (+)-ethyl homononactate is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Synonyms
ValueSource
(+)-Ethyl homononactic acidGenerator
Molecular FormulaC13H24O4
Average Mass244.331
Monoisotopic Mass244.167459253
IUPAC Nameethyl (2S)-2-[(2S,5R)-5-[(2R)-2-hydroxybutyl]oxolan-2-yl]propanoate
Traditional Nameethyl (2S)-2-[(2S,5R)-5-[(2R)-2-hydroxybutyl]oxolan-2-yl]propanoate
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(CC)C[C@@]1([H])CC[C@]([H])(O1)[C@]([H])(C)C(=O)OCC
InChI Identifier
InChI=1S/C13H24O4/c1-4-10(14)8-11-6-7-12(17-11)9(3)13(15)16-5-2/h9-12,14H,4-8H2,1-3H3/t9-,10+,11+,12-/m0/s1
InChI KeyKJHMFBXSFYEECB-QCNOEVLYSA-N