Debug Info

object
{15}
_id
:
KeTwajzYCEW
spectrumID
:
KeTwajzYCEW
cost
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1
specType
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262144
xnmrNucleus
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0
dbLocation
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WRX:161778:1
hasStructureAssignments
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true
properties
{12}
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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28-DESGLUCOYL-PROSAPOGENIN-DIMETHYLESTER-CHIKUSETSUSAPONIN-IV
SpectraBase Compound ID IUSIFCwWQe5
InChI InChI=1S/C43H68O13/c1-38(2)16-18-43(37(50)52-9)19-17-41(6)22(23(43)20-38)10-11-26-40(5)14-13-27(39(3,4)25(40)12-15-42(26,41)7)54-36-31(48)29(46)32(33(56-36)34(49)51-8)55-35-30(47)28(45)24(21-44)53-35/h10,23-33,35-36,44-48H,11-21H2,1-9H3/t23-,24-,25-,26+,27-,28-,29+,30+,31+,32-,33-,35-,36+,40?,41?,42?,43-/m0/s1
InChIKey IXFUXHGABVWNRU-HCKDDKASSA-N
Mol Weight 793.0 g/mol
Molecular Formula C43H68O13
Exact Mass 792.465992 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 KeTwajzYCEW
Name 28-DESGLUCOYL-PROSAPOGENIN-DIMETHYLESTER-CHIKUSETSUSAPONIN-IV
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H68O13
InChI InChI=1S/C43H68O13/c1-38(2)16-18-43(37(50)52-9)19-17-41(6)22(23(43)20-38)10-11-26-40(5)14-13-27(39(3,4)25(40)12-15-42(26,41)7)54-36-31(48)29(46)32(33(56-36)34(49)51-8)55-35-30(47)28(45)24(21-44)53-35/h10,23-33,35-36,44-48H,11-21H2,1-9H3/t23-,24-,25-,26+,27-,28-,29+,30+,31+,32-,33-,35-,36+,40?,41?,42?,43-/m0/s1
InChIKey IXFUXHGABVWNRU-HCKDDKASSA-N
Literature Reference Author S.SAKAI,M.KATSUMATA,Y.SATOH,M.NAGASAO,M.MIYAKOSHI,Y.IDA,J.SH OJI
Literature Reference Citation PHYTOCHEM.,35,1319(1994)
Literature Reference DOI 10.1016/S0031-9422(00)94846-5
Molecular Weight 793.005 g/mol
Solvent C5D5N
Source File Reference UWMS24549
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