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[METHYL-3-CHLORO-5-O-(3-CHLOROBENZOYL)-2,3-DIDEOXY-N-((1'S)-1'-[(3''S)-3'',4''-DIHYDRO-8''-HYDROXY-1''-OXO-1''H-2''-BENZOPYRAN-3''-YL]-3'-METHYLBUTYL)-ALPHA-D-ARABINO-
SpectraBase Compound ID LLdlse5CI9R
InChI InChI=1S/C28H31Cl2NO8/c1-14(2)10-19(21-12-15-6-5-9-20(32)23(15)28(35)37-21)31-26(33)25(24-18(30)13-22(36-3)38-24)39-27(34)16-7-4-8-17(29)11-16/h4-9,11,14,18-19,21-22,24-25,32H,10,12-13H2,1-3H3,(H,31,33)/t18-,19-,21-,22+,24+,25-/m0/s1
InChIKey MMMFLXABIAPIHR-KDIXXLTNSA-N
Mol Weight 580.46 g/mol
Molecular Formula C28H31Cl2NO8
Exact Mass 579.142672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIIGNlQu0ca
Name [METHYL-3-CHLORO-5-O-(3-CHLOROBENZOYL)-2,3-DIDEOXY-N-((1'S)-1'-[(3''S)-3'',4''-DIHYDRO-8''-HYDROXY-1''-OXO-1''H-2''-BENZOPYRAN-3''-YL]-3'-METHYLBUTYL)-ALPHA-D-ARABINO-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H31Cl2NO8
InChI InChI=1S/C28H31Cl2NO8/c1-14(2)10-19(21-12-15-6-5-9-20(32)23(15)28(35)37-21)31-26(33)25(24-18(30)13-22(36-3)38-24)39-27(34)16-7-4-8-17(29)11-16/h4-9,11,14,18-19,21-22,24-25,32H,10,12-13H2,1-3H3,(H,31,33)/t18-,19-,21-,22+,24+,25-/m0/s1
InChIKey MMMFLXABIAPIHR-KDIXXLTNSA-N
Literature Reference Author J.M.DURGNAT,P.VOGEL
Literature Reference Citation HELV.CHIM.ACTA,76,222(1993)
Literature Reference DOI 10.1002/hlca.19930760116
Molecular Weight 580.462 g/mol
Solvent CDCl3
Source File Reference UWCS16199