![#37;N-ACETYL-3-DEOXY-3-[N'-[3-DEOXY-3-[N'-[3-DEOXY-3-[N'-(2,4,6-TRI-3-AZIDO-3-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO](/api/spectrum/dw121VDgaC/structure.png?h=300&w=458 "#37;N-ACETYL-3-DEOXY-3-[N'-[3-DEOXY-3-[N'-[3-DEOXY-3-[N'-(2,4,6-TRI-3-AZIDO-3-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO")
| SpectraBase Compound ID | LUSdzgUolW2 |
|---|---|
| InChI | InChI=1S/C29H50N10O17S3/c1-6(44)31-23-19(49)11(15(45)7(2-40)53-23)32-27(57)35-24-20(50)12(16(46)8(3-41)54-24)33-28(58)36-25-21(51)13(17(47)9(4-42)55-25)34-29(59)37-26-22(52)14(38-39-30)18(48)10(5-43)56-26/h7-26,40-43,45-52H,2-5H2,1H3,(H,31,44)(H2,32,35,57)(H2,33,36,58)(H2,34,37,59)/t7-,8-,9-,10-,11+,12+,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-/m1/s1 |
| InChIKey | AAQXZACZWFRPAW-SNMYALIUSA-N |
| Mol Weight | 907.0 g/mol |
| Molecular Formula | C29H50N10O17S3 |
| Exact Mass | 906.251754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | dw121VDgaC |
|---|---|
| Name | #37;N-ACETYL-3-DEOXY-3-[N'-[3-DEOXY-3-[N'-[3-DEOXY-3-[N'-(2,4,6-TRI-3-AZIDO-3-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H50N10O17S3 |
| InChI | InChI=1S/C29H50N10O17S3/c1-6(44)31-23-19(49)11(15(45)7(2-40)53-23)32-27(57)35-24-20(50)12(16(46)8(3-41)54-24)33-28(58)36-25-21(51)13(17(47)9(4-42)55-25)34-29(59)37-26-22(52)14(38-39-30)18(48)10(5-43)56-26/h7-26,40-43,45-52H,2-5H2,1H3,(H,31,44)(H2,32,35,57)(H2,33,36,58)(H2,34,37,59)/t7-,8-,9-,10-,11+,12+,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-/m1/s1 |
| InChIKey | AAQXZACZWFRPAW-SNMYALIUSA-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 | 906.953 g/mol |
| Sample ID | 42794 |
| Solvent | D2O |