![#7;O-[METHYL-4-O-(2-ACETAMIDO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)-2-O-ACETYL-3-O-BENZYL-ALPHA,BETA-L-IDOPYRANOSYLURONATE]-TRICHLOROACE](/api/spectrum/GdrVWjWeWDx/structure.png?h=300&w=458 "#7;O-[METHYL-4-O-(2-ACETAMIDO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)-2-O-ACETYL-3-O-BENZYL-ALPHA,BETA-L-IDOPYRANOSYLURONATE]-TRICHLOROACE")
| SpectraBase Compound ID | 35ZKJGumLMm |
|---|---|
| InChI | InChI=1S/2C40H43Cl3N2O13/c2*1-22(46)45-28-30(50-19-24-13-7-4-8-14-24)29-27(21-52-36(55-29)26-17-11-6-12-18-26)54-37(28)56-32-31(51-20-25-15-9-5-10-16-25)34(53-23(2)47)38(57-33(32)35(48)49-3)58-39(44)40(41,42)43/h2*4-18,27-34,36-38,44H,19-21H2,1-3H3,(H,45,46)/t27-,28-,29-,30-,31+,32+,33-,34-,36-,37-,38+;27-,28-,29-,30-,31+,32+,33-,34-,36-,37-,38-/m00/s1 |
| InChIKey | FZQUGJJCMKCHGI-VGXHVWRJSA-N |
| Mol Weight | 1732.3 g/mol |
| Molecular Formula | C80H86Cl6N4O26 |
| Exact Mass | 1728.366145 g/mol |
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| SpectraBase Spectrum ID | GdrVWjWeWDx |
|---|---|
| Name | #7;O-[METHYL-4-O-(2-ACETAMIDO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)-2-O-ACETYL-3-O-BENZYL-ALPHA,BETA-L-IDOPYRANOSYLURONATE]-TRICHLOROACE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H86Cl6N4O26 |
| InChI | InChI=1S/2C40H43Cl3N2O13/c2*1-22(46)45-28-30(50-19-24-13-7-4-8-14-24)29-27(21-52-36(55-29)26-17-11-6-12-18-26)54-37(28)56-32-31(51-20-25-15-9-5-10-16-25)34(53-23(2)47)38(57-33(32)35(48)49-3)58-39(44)40(41,42)43/h2*4-18,27-34,36-38,44H,19-21H2,1-3H3,(H,45,46)/t27-,28-,29-,30-,31+,32+,33-,34-,36-,37-,38+;27-,28-,29-,30-,31+,32+,33-,34-,36-,37-,38-/m00/s1 |
| InChIKey | FZQUGJJCMKCHGI-VGXHVWRJSA-N |
| Literature Reference Author | R.OJEDA,J.ANGULO,P.M.NIETO,M.MARTIN-LOMAS |
| Literature Reference Citation | CAN.J.CHEM.,80,917(2002) |
| Literature Reference DOI | 10.1139/v02-023 |
| Molecular Weight | 1732.292 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29953 |