John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=110tBqn07Mx SpectraBase Spectrum ID=FvnsioDmbir

(accessed ).
(2S,3S,4R,5S,6S)-METHYL-3''-[1'-[3,5-DIHYDROXY-2,6-BIS-(HYDROXYMETHYL)-7,7-DIMETHYL-OXEPAN-4-YL]-1H-1',2',3'-(TRIAZOL-4'-YL)]-3''-METHYLBUTANOATE
SpectraBase Compound ID 110tBqn07Mx
InChI InChI=1S/C18H31N3O7/c1-17(2,6-13(24)27-5)12-7-21(20-19-12)14-15(25)10(8-22)18(3,4)28-11(9-23)16(14)26/h7,10-11,14-16,22-23,25-26H,6,8-9H2,1-5H3/t10-,11-,14+,15-,16+/m0/s1
InChIKey JINHATAMVDURAJ-APVVIDPYSA-N
Mol Weight 401.46 g/mol
Molecular Formula C18H31N3O7
Exact Mass 401.216201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FvnsioDmbir
Name (2S,3S,4R,5S,6S)-METHYL-3''-[1'-[3,5-DIHYDROXY-2,6-BIS-(HYDROXYMETHYL)-7,7-DIMETHYL-OXEPAN-4-YL]-1H-1',2',3'-(TRIAZOL-4'-YL)]-3''-METHYLBUTANOATE
Compound Number 15
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H31N3O7
InChI InChI=1S/C18H31N3O7/c1-17(2,6-13(24)27-5)12-7-21(20-19-12)14-15(25)10(8-22)18(3,4)28-11(9-23)16(14)26/h7,10-11,14-16,22-23,25-26H,6,8-9H2,1-5H3/t10-,11-,14+,15-,16+/m0/s1
InChIKey JINHATAMVDURAJ-APVVIDPYSA-N
Literature Reference Author L.BOUCHE,H.U.REISSIG
Literature Reference Citation EUR.J.ORG.CHEM.,2014,3697(2014)
Literature Reference DOI 10.1002/ejoc.201402191
Molecular Weight 401.460 g/mol
Solvent CD3OD:CDCl3
Source File Reference UWIR18951
SpectraBase Batch ID 1PpmZCko1f8