Debug Info

object
{24}
_id
:
6wjtTaQoOc4
compoundID
:
6wjtTaQoOc4
ambiguous
:
false
names
[2]
name
:
3-O-CAFFEOYL-2-C-METHYL-D-ERYTHRONO-1,4-LACTONE
ambiguousSiblings
[0]
hasStructure
:
true
recordSources
[2]
properties
{7}
spectrumSourcesMap
{2}
spectrumSourcesMapSuggestedOrder
[2]
otherEnantiomer1Compound
{1}
saltCompounds
[0]
isotopicCompounds
[0]
stereoisomerCompounds
[0]
stereoisomerSaltCompounds
[0]
similarCompounds
[10]
vendors
[0]
articles
[1]
lastUpdated
:
1735071411015
isDeprecated
:
false
productInfo
[2]
spectrumSourcesMapCountOriginal
:
2
spectrumSourcesMapCountFiltered
:
2

Logged In :

Authorized Features

  • None
  • DataFullSpectraPoints
  • DataReadAll
  • DataReportGeneration
  • ExportCompound
  • ExportStructure
  • ExportSpectrum
  • ImageFullMS
  • ImageHighRes
  • ImageFullAxis
  • SearchSpectral
  • SearchStructure
ADVERTISEMENT
3-O-CAFFEOYL-2-C-METHYL-D-ERYTHRONO-1,4-LACTONE
SpectraBase Compound ID 6wjtTaQoOc4
InChI InChI=1S/C14H14O7/c1-14(19)11(7-20-13(14)18)21-12(17)5-3-8-2-4-9(15)10(16)6-8/h2-6,11,15-16,19H,7H2,1H3/b5-3+/t11-,14-/m1/s1
InChIKey OPURFTKJCNDEDB-UOLJMSNASA-N
Mol Weight 294.26 g/mol
Molecular Formula C14H14O7
Exact Mass 294.073953 g/mol
Enantiomer InChIKey OPURFTKJCNDEDB-ACIZLPDLSA-N
ADVERTISEMENT
  • 3-[O-Caffeyl]-2,3,4-trihydroxy-2-methylbutan-1,4-olide
  • (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (3R,4R)-4-hydroxy-4-methyl-5-oxo-tetrahydro-furan-3-yl ester

This compound is available in the following databases:

KnowItAll NMR Spectral Library

Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

KnowItAll Mass Spectral Library

Author: Wiley

The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.

ADVERTISEMENT
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.