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3-CHLOROPROPYL-3-O-ACETYL-4,6-O-BENZILIDENE-2-DEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYL-AMINO)-ALPHA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 8X31N3a9ryn
InChI InChI=1S/C21H25Cl4NO8/c1-12(27)32-17-15(26-20(28)31-11-21(23,24)25)19(29-9-5-8-22)33-14-10-30-18(34-16(14)17)13-6-3-2-4-7-13/h2-4,6-7,14-19H,5,8-11H2,1H3,(H,26,28)/t14-,15-,16+,17-,18+,19+/m1/s1
InChIKey DDQKVUOHPQJRNX-QKDSSNGWSA-N
Mol Weight 561.2 g/mol
Molecular Formula C21H25Cl4NO8
Exact Mass 559.033428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZhzoK7GsIm
Name 3-CHLOROPROPYL-3-O-ACETYL-4,6-O-BENZILIDENE-2-DEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYL-AMINO)-ALPHA-D-GALACTOPYRANOSIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25Cl4NO8
InChI InChI=1S/C21H25Cl4NO8/c1-12(27)32-17-15(26-20(28)31-11-21(23,24)25)19(29-9-5-8-22)33-14-10-30-18(34-16(14)17)13-6-3-2-4-7-13/h2-4,6-7,14-19H,5,8-11H2,1H3,(H,26,28)/t14-,15-,16+,17-,18+,19+/m1/s1
InChIKey DDQKVUOHPQJRNX-QKDSSNGWSA-N
Literature Reference Author D.BENITO-ALIFONSO,R.A.JONES,A.T.TRAN,H.WOODWARD,N.SMITH,M.V. GALAN
Literature Reference Citation BEIL.J.ORG.CHEM.,9,1867(2013)
Literature Reference DOI 10.3762/bjoc.9.218
Molecular Weight 561.243 g/mol
Solvent CDCl3
Source File Reference UWLU77504