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object
{15}
_id
:
45kymUyD5eY
spectrumID
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45kymUyD5eY
cost
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1
specType
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262144
xnmrNucleus
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0
dbLocation
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WRX:302983:1
hasStructureAssignments
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properties
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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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PATRIRIDOSIDE_I;[(4-S,5-R,9-S)-4,8-DIMETHYL-4,5,6,7-TETRAHYDRO-3-H-CYCLOPENTA-[B]-FURAN-9-YL]-METHANOL_1-O-BETA-APIOFURANOSYL-(1->6)-
SpectraBase Compound ID FYRUkpMBA7C
InChI InChI=1S/C21H34O11/c1-10-5-31-21(11(2)3-4-12(10)21)9-30-18-16(25)15(24)14(23)13(32-18)6-28-19-17(26)20(27,7-22)8-29-19/h3,10,12-19,22-27H,4-9H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1
InChIKey RKKLMLPXHGWOKI-FXHXVMKNSA-N
Mol Weight 462.5 g/mol
Molecular Formula C21H34O11
Exact Mass 462.210112 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 45kymUyD5eY
Name PATRIRIDOSIDE_I;[(4-S,5-R,9-S)-4,8-DIMETHYL-4,5,6,7-TETRAHYDRO-3-H-CYCLOPENTA-[B]-FURAN-9-YL]-METHANOL_1-O-BETA-APIOFURANOSYL-(1->6)-
Compound Number 6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34O11
InChI InChI=1S/C21H34O11/c1-10-5-31-21(11(2)3-4-12(10)21)9-30-18-16(25)15(24)14(23)13(32-18)6-28-19-17(26)20(27,7-22)8-29-19/h3,10,12-19,22-27H,4-9H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18-,19-,20-,21-/m1/s1
InChIKey RKKLMLPXHGWOKI-FXHXVMKNSA-N
Literature Reference Author N.LI,L.DI,W.C.GAO,K.J.WANG,L.B.ZU
Literature Reference Citation J.NAT.PROD.,75,1723(2012)
Literature Reference DOI 10.1021/np300286t
Molecular Weight 462.494 g/mol
Sample ID 41512
Solvent CD3OD
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