Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:34:34 UTC
Update Date2022-08-12 20:09:04 UTC
Metabolite IDMMDBc0054781
Metabolite Identification
Common Name(1S,4S)-5-oxo-1,2-campholide
Description(+)-5-oxo-1,2-campholide belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. Based on a literature review very few articles have been published on (+)-5-oxo-1,2-campholide.
Structure
Synonyms
ValueSource
(1S,4S)-5-oxo-1,2-CampholideChEBI
Molecular FormulaC10H14O3
Average Mass182.219
Monoisotopic Mass182.094294311
IUPAC Name(1S,5S)-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octane-3,6-dione
Traditional Name(1S,5S)-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octane-3,6-dione
CAS Registry NumberNot Available
SMILES
[H][C@@]12CC(=O)O[C@@](C)(CC1=O)C2(C)C
InChI Identifier
InChI=1S/C10H14O3/c1-9(2)6-4-8(12)13-10(9,3)5-7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m1/s1
InChI KeyUDJVKSCOEHSXBZ-LDWIPMOCSA-N