![N-ACETYL-3,6-DIDEOXY-3,6-BIS-[3-(3,6-DIAZIDO-3,6-DIDEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAMINE](/api/spectrum/LDlRc20spLv/structure.png?h=300&w=458 "N-ACETYL-3,6-DIDEOXY-3,6-BIS-[3-(3,6-DIAZIDO-3,6-DIDEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAMINE")
| SpectraBase Compound ID | 8qXpZi7h55U |
|---|---|
| InChI | InChI=1S/C22H35N17O10S2/c1-5(40)30-18-15(44)9(31-22(51)33-20-17(46)11(35-39-26)14(43)8(49-20)4-29-37-24)12(41)6(47-18)2-27-21(50)32-19-16(45)10(34-38-25)13(42)7(48-19)3-28-36-23/h6-20,41-46H,2-4H2,1H3,(H,30,40)(H2,27,32,50)(H2,31,33,51)/t6-,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17-,18-,19+,20-/m1/s1 |
| InChIKey | UCGBIHHFLOYEFP-RBMDDZQVSA-N |
| Mol Weight | 761.8 g/mol |
| Molecular Formula | C22H35N17O10S2 |
| Exact Mass | 761.219423 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LDlRc20spLv |
|---|---|
| Name | N-ACETYL-3,6-DIDEOXY-3,6-BIS-[3-(3,6-DIAZIDO-3,6-DIDEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYLAMINE |
| Compound Number | 42 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H35N17O10S2 |
| InChI | InChI=1S/C22H35N17O10S2/c1-5(40)30-18-15(44)9(31-22(51)33-20-17(46)11(35-39-26)14(43)8(49-20)4-29-37-24)12(41)6(47-18)2-27-21(50)32-19-16(45)10(34-38-25)13(42)7(48-19)3-28-36-23/h6-20,41-46H,2-4H2,1H3,(H,30,40)(H2,27,32,50)(H2,31,33,51)/t6-,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17-,18-,19+,20-/m1/s1 |
| InChIKey | UCGBIHHFLOYEFP-RBMDDZQVSA-N |
| Literature Reference Author | J.L.J.BLANCO,P.BOOTELLO,C.O.MELLET,J.M.G.FERNANDEZ |
| Literature Reference Citation | EUR.J.ORG.CHEM.,183(2006) |
| Molecular Weight | 761.748 g/mol |
| Sample ID | 42799 |
| Solvent | D2O |