| SpectraBase Compound ID | 38bkU2ZCG7R |
|---|---|
| InChI | InChI=1S/C93H105N2O16S.F6P/c1-3-112-93-90(106-64-77-50-30-12-31-51-77)87(103-61-74-44-24-9-25-45-74)84(80(109-93)67-99-81(96)52-32-13-33-53-95-55-54-94(2)68-95)111-92-89(105-63-76-48-28-11-29-49-76)86(102-60-73-42-22-8-23-43-73)83(79(108-92)66-98-57-70-36-16-5-17-37-70)110-91-88(104-62-75-46-26-10-27-47-75)85(101-59-72-40-20-7-21-41-72)82(100-58-71-38-18-6-19-39-71)78(107-91)65-97-56-69-34-14-4-15-35-69;1-7(2,3,4,5)6/h4-12,14-31,34-51,54-55,68,78-80,82-93H,3,13,32-33,52-53,56-67H2,1-2H3;/q+1;-1/t78-,79-,80-,82-,83-,84-,85+,86+,87+,88-,89-,90-,91+,92-,93+;/m1./s1 |
| InChIKey | YFOFSPCCZBHPKO-WUUQABIXSA-N |
| Mol Weight | 1683.9 g/mol |
| Molecular Formula | C93H105F6N2O16PS |
| Exact Mass | 1682.682662 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8yrUEl4isQm |
|---|---|
| Name | #14;[6-[2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZYL-ALPHA-D-GLUCOPYRANOSYL-(1->4)-2,3-DI-O-BENZYL-1-ETHYLTHIO-BETA-D-GLUCOPYRANOS-6- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C93H105F6N2O16PS |
| InChI | InChI=1S/C93H105N2O16S.F6P/c1-3-112-93-90(106-64-77-50-30-12-31-51-77)87(103-61-74-44-24-9-25-45-74)84(80(109-93)67-99-81(96)52-32-13-33-53-95-55-54-94(2)68-95)111-92-89(105-63-76-48-28-11-29-49-76)86(102-60-73-42-22-8-23-43-73)83(79(108-92)66-98-57-70-36-16-5-17-37-70)110-91-88(104-62-75-46-26-10-27-47-75)85(101-59-72-40-20-7-21-41-72)82(100-58-71-38-18-6-19-39-71)78(107-91)65-97-56-69-34-14-4-15-35-69;1-7(2,3,4,5)6/h4-12,14-31,34-51,54-55,68,78-80,82-93H,3,13,32-33,52-53,56-67H2,1-2H3;/q+1;-1/t78-,79-,80-,82-,83-,84-,85+,86+,87+,88-,89-,90-,91+,92-,93+;/m1./s1 |
| InChIKey | YFOFSPCCZBHPKO-WUUQABIXSA-N |
| Literature Reference Author | M.PEPIN,M.HUBERT-ROUX,C.MARTIN,F.GUILLEN,C.LANGE,G.GOUHIER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2010,6366(2010) |
| Literature Reference DOI | 10.1002/ejoc.201000754 |
| Solvent | CDCl3 |
| Source File Reference | UWLU85735 |