Debug Info

object
{15}
_id
:
8U12SdPjCUh
spectrumID
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8U12SdPjCUh
cost
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1
specType
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262144
xnmrNucleus
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0
dbLocation
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WRX:15187:1
hasStructureAssignments
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true
properties
{11}
analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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5-Cyano-5a-cholestan-3-one
SpectraBase Compound ID LusSAT1TnPd
InChI InChI=1S/C28H45NO/c1-19(2)7-6-8-20(3)23-9-10-24-22-12-16-28(18-29)17-21(30)11-15-27(28,5)25(22)13-14-26(23,24)4/h19-20,22-25H,6-17H2,1-5H3/t20-,22+,23-,24+,25+,26-,27-,28+/m1/s1
InChIKey LQXDEIFCAJLJSU-HFONHLFMSA-N
Mol Weight 411.7 g/mol
Molecular Formula C28H45NO
Exact Mass 411.350115 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8U12SdPjCUh
Name 5-CYANO-5-ALPHA-CHOLESTAN-3-ONE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H45NO
InChI InChI=1S/C28H45NO/c1-19(2)7-6-8-20(3)23-9-10-24-22-12-16-28(18-29)17-21(30)11-15-27(28,5)25(22)13-14-26(23,24)4/h19-20,22-25H,6-17H2,1-5H3/t20-,22+,23-,24+,25+,26-,27-,28+/m1/s1
InChIKey LQXDEIFCAJLJSU-HFONHLFMSA-N
Literature Reference Author J.W.BLUNT,J.B.STOTHERS
Literature Reference Citation ORG.MAGN.RES.,9,439(1977)
Literature Reference DOI 10.1002/mrc.1270090802
Molecular Weight 411.671 g/mol
Solvent CHCl3
Source File Reference UNIW4043
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