Debug Info

object
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_id
:
DPy2AnFl6Ed
compoundID
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DPy2AnFl6Ed
ambiguous
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names
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name
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5-Methoxymurrayatin
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properties
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otherEnantiomer1Compound
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racemateCompound
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saltCompounds
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stereoisomerCompounds
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similarCompounds
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1735071411015
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5-Methoxymurrayatin
SpectraBase Compound ID DPy2AnFl6Ed
InChI InChI=1S/C21H28O7/c1-12(2)9-19(23)27-17(21(3,4)24)10-14-16(26-6)11-15(25-5)13-7-8-18(22)28-20(13)14/h7-8,11-12,17,24H,9-10H2,1-6H3/t17-/m0/s1
InChIKey RMQZBJJKSNDYKQ-KRWDZBQOSA-N
Mol Weight 392.45 g/mol
Molecular Formula C21H28O7
Exact Mass 392.183503 g/mol
Enantiomer InChIKey RMQZBJJKSNDYKQ-QGZVFWFLSA-N
Racemate InChIKey RMQZBJJKSNDYKQ-UHFFFAOYSA-N
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  • 3-Methylbutanoic acid [(2S)-1-(5,7-dimethoxy-2-oxo-1-benzopyran-8-yl)-3-hydroxy-3-methylbutan-2-yl] ester
  • [(2S)-1-(5,7-dimethoxy-2-oxidanylidene-chromen-8-yl)-3-methyl-3-oxidanyl-butan-2-yl] 3-methylbutanoate
  • [(2S)-1-(5,7-dimethoxy-2-oxochromen-8-yl)-3-hydroxy-3-methylbutan-2-yl] 3-methylbutanoate
  • [(1S)-1-[(5,7-dimethoxy-2-oxo-chromen-8-yl)methyl]-2-hydroxy-2-methyl-propyl] 3-methylbutanoate

This compound is available in the following databases:

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Wiley Registry of Mass Spectral Data 2023

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