Debug Info

object
{15}
_id
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3ziWTIzRNSF
spectrumID
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3ziWTIzRNSF
cost
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1
specType
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131072
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dbLocation
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WMS3X:549486:1
hasStructureAssignments
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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compound
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1735074081058
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Methyl (1S,4ar,5S,8ar)-5-{2-[2-(1-hydroxy-3-oxo-3-ethoxypropyl)-3-furyl]ethyl}-1,4A-dimethyl-6-methylenedecahydronaphthalene-1-carboxylate
SpectraBase Compound ID 41UYYSfHri8
InChI InChI=1S/C26H38O6/c1-6-31-22(28)16-20(27)23-18(12-15-32-23)9-10-19-17(2)8-11-21-25(19,3)13-7-14-26(21,4)24(29)30-5/h12,15,19-21,27H,2,6-11,13-14,16H2,1,3-5H3/t19-,20+,21+,25+,26-/m0/s1
InChIKey TUHSVSSJANIBMU-XZMORJKJSA-N
Mol Weight 446.6 g/mol
Molecular Formula C26H38O6
Exact Mass 446.266839 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ziWTIzRNSF
Name Methyl (1S,4aR,5S,8aR)-5-{2-[2-(1-hydroxy-3-oxo-3-ethoxypropyl)-3-furyl]ethyl}-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O6
InChI InChI=1S/C26H38O6/c1-6-31-22(28)16-20(27)23-18(12-15-32-23)9-10-19-17(2)8-11-21-25(19,3)13-7-14-26(21,4)24(29)30-5/h12,15,19-21,27H,2,6-11,13-14,16H2,1,3-5H3/t19-,20+,21+,25+,26-/m0/s1
InChIKey TUHSVSSJANIBMU-XZMORJKJSA-N
Molecular Weight 446.584 g/mol
SMILES O[C@](CC(=O)OCC)(c1c(CC[C@@]2([C@@]3([C@]([C@](C(=O)OC)(C)CCC3)(CCC2=C)[H])C)[H])cco1)[H]
SPLASH splash10-075a-1922100000-f8ebcacc93af76d6e442
Source of Spectrum O1-46-1346-11a
Wiley ID 1711447
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