Debug Info

object
{24}
_id
:
LjH4w4DnN9Z
compoundID
:
LjH4w4DnN9Z
ambiguous
:
false
names
[3]
name
:
2-[(2S,3S,12bS)-3-(3-keto-3-methoxy-propyl)-2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-2-yl]-2-cyano-acetic acid methyl ester
ambiguousSiblings
[0]
hasStructure
:
true
recordSources
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properties
{7}
spectrumSourcesMap
{2}
spectrumSourcesMapSuggestedOrder
[2]
otherEnantiomer1Compound
{1}
saltCompounds
[0]
isotopicCompounds
[0]
stereoisomerCompounds
[0]
stereoisomerSaltCompounds
[0]
similarCompounds
[10]
vendors
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articles
[0]
lastUpdated
:
1735071411015
isDeprecated
:
false
productInfo
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spectrumSourcesMapCountOriginal
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2
spectrumSourcesMapCountFiltered
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2

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2-[(2S,3S,12bS)-3-(3-keto-3-methoxy-propyl)-2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-2-yl]-2-cyano-acetic acid methyl ester
SpectraBase Compound ID LjH4w4DnN9Z
InChI InChI=1S/C22H26N2O6/c1-27-21(25)4-3-14-11-24-6-5-13-7-19-20(30-12-29-19)9-16(13)18(24)8-15(14)17(10-23)22(26)28-2/h7,9,14-15,17-18H,3-6,8,11-12H2,1-2H3/t14-,15+,17?,18+/m1/s1
InChIKey SDRSYKAIEUPFNP-COJCKYOVSA-N
Mol Weight 414.46 g/mol
Molecular Formula C22H26N2O6
Exact Mass 414.179087 g/mol
Enantiomer InChIKey SDRSYKAIEUPFNP-WYJPGFMXSA-N
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  • Methyl 2-[(2S,3S,12bS)-3-(3-methoxy-3-oxo-propyl)-2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-2-yl]-2-cyano-acetate
  • Methyl 2-[(2S,3S,12bS)-3-(3-methoxy-3-oxidanylidene-propyl)-2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-2-yl]-2-cyano-ethanoate
  • 2-[(2S,3S,12bS)-3-(3-methoxy-3-oxopropyl)-2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-2-yl]-2-cyanoacetic acid methyl ester
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