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DL-(1,3,5/2,4,6)-6-(HYDROXYMETHYL)-CYCLOHEXANE-1,2,3,4,5-PENTOL-1:7-CYCLIC-2,4-TRIPHOSPHATE;DL-6-DEOXY-6-(HYDROXYMETHYL)-SCYLLO-INOSITOL-1:7-CYCLIC

View entire compound with spectra: 2 NMR

DL-(1,3,5/2,4,6)-6-(HYDROXYMETHYL)-CYCLOHEXANE-1,2,3,4,5-PENTOL-1:7-CYCLIC-2,4-TRIPHOSPHATE;DL-6-DEOXY-6-(HYDROXYMETHYL)-SCYLLO-INOSITOL-1:7-CYCLIC
SpectraBase Compound ID BHgk7SBVmac
InChI InChI=1S/C7H15O14P3/c8-3-2-1-18-24(16,17)21-5(2)7(20-23(13,14)15)4(9)6(3)19-22(10,11)12/h2-9H,1H2,(H,16,17)(H2,10,11,12)(H2,13,14,15)/p-5/t2-,3-,4-,5+,6+,7+/m0/s1
InChIKey XEAZCWAVGTWVNX-YQHQLQMSSA-I
Mol Weight 411.06 g/mol
Molecular Formula C7H10O14P3
Exact Mass 410.928341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iol68NHAdRS
Name DL-(1,3,5/2,4,6)-6-(HYDROXYMETHYL)-CYCLOHEXANE-1,2,3,4,5-PENTOL-1:7-CYCLIC-2,4-TRIPHOSPHATE;DL-6-DEOXY-6-(HYDROXYMETHYL)-SCYLLO-INOSITOL-1:7-CYCLIC
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H10O14P3
InChI InChI=1S/C7H15O14P3/c8-3-2-1-18-24(16,17)21-5(2)7(20-23(13,14)15)4(9)6(3)19-22(10,11)12/h2-9H,1H2,(H,16,17)(H2,10,11,12)(H2,13,14,15)/p-5/t2-,3-,4-,5+,6+,7+/m0/s1
InChIKey XEAZCWAVGTWVNX-YQHQLQMSSA-I
Literature Reference Author A.M.RILEY,P.GUEDAT,G.SCHLEWER,B.SPIESS,B.V.L.POTTER
Literature Reference Citation J.ORG.CHEM.,63,295(1998)
Literature Reference DOI 10.1021/jo9714425
Molecular Weight 411.069 g/mol
Sample ID 28165
Solvent D2O