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METHYL-2-DEOXY-2-[(1R/S)-2,5-BENZYLIMINO-1,2,5-TRIDEOXY-3,4-O-ISOPROPYLIDENE-1-PHENYLTHIO-L-RIBITOL-1C-YL]-ALPHA-D-ALLOPYRANOSIDE
SpectraBase Compound ID D3ZLhWZIFqx
InChI InChI=1S/C28H37NO7S/c1-28(2)35-19-15-29(14-17-10-6-4-7-11-17)22(25(19)36-28)26(37-18-12-8-5-9-13-18)21-24(32)23(31)20(16-30)34-27(21)33-3/h4-13,19-27,30-32H,14-16H2,1-3H3/t19-,20+,21-,22-,23+,24-,25-,26?,27-/m0/s1
InChIKey MSXKKNHYRQDIJL-ANDBOKHWSA-N
Mol Weight 531.7 g/mol
Molecular Formula C28H37NO7S
Exact Mass 531.229074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jmm8eardykx
Name METHYL-2-DEOXY-2-[(1R/S)-2,5-BENZYLIMINO-1,2,5-TRIDEOXY-3,4-O-ISOPROPYLIDENE-1-PHENYLTHIO-L-RIBITOL-1C-YL]-ALPHA-D-ALLOPYRANOSIDE
Compound Number (+)-23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H37NO7S
InChI InChI=1S/C28H37NO7S/c1-28(2)35-19-15-29(14-17-10-6-4-7-11-17)22(25(19)36-28)26(37-18-12-8-5-9-13-18)21-24(32)23(31)20(16-30)34-27(21)33-3/h4-13,19-27,30-32H,14-16H2,1-3H3/t19-,20+,21-,22-,23+,24-,25-,26?,27-/m0/s1
InChIKey MSXKKNHYRQDIJL-ANDBOKHWSA-N
Literature Reference Author E.R.GARCIA,M.A.BRIMBLE,P.VOGEL
Literature Reference Citation EUR.J.ORG.CHEM.,3845(2006)
Molecular Weight 531.664 g/mol
Sample ID 32234
Solvent CD3OD