![6-AZIDO-N-[BIS-[3-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-THIOUREIDOMETHYL]-METHYL]-HEXANAMIDE](/api/spectrum/GkAucjEfAmD/structure.png?h=300&w=458 "6-AZIDO-N-[BIS-[3-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-THIOUREIDOMETHYL]-METHYL]-HEXANAMIDE")
| SpectraBase Compound ID | 2JGvUtyzR9T |
|---|---|
| InChI | InChI=1S/C39H58N8O19S2/c1-18(48)57-16-27-30(59-20(3)50)32(61-22(5)52)34(63-24(7)54)36(65-27)45-38(67)41-14-26(44-29(56)12-10-9-11-13-43-47-40)15-42-39(68)46-37-35(64-25(8)55)33(62-23(6)53)31(60-21(4)51)28(66-37)17-58-19(2)49/h26-28,30-37H,9-17H2,1-8H3,(H,44,56)(H2,41,45,67)(H2,42,46,68)/t27-,28-,30-,31-,32+,33+,34+,35+,36+,37+/m1/s1 |
| InChIKey | MCBLGCBHRGACMZ-HQVROIPZSA-N |
| Mol Weight | 1007.0 g/mol |
| Molecular Formula | C39H58N8O19S2 |
| Exact Mass | 1006.325964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GkAucjEfAmD |
|---|---|
| Name | 6-AZIDO-N-[BIS-[3-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-THIOUREIDOMETHYL]-METHYL]-HEXANAMIDE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H58N8O19S2 |
| InChI | InChI=1S/C39H58N8O19S2/c1-18(48)57-16-27-30(59-20(3)50)32(61-22(5)52)34(63-24(7)54)36(65-27)45-38(67)41-14-26(44-29(56)12-10-9-11-13-43-47-40)15-42-39(68)46-37-35(64-25(8)55)33(62-23(6)53)31(60-21(4)51)28(66-37)17-58-19(2)49/h26-28,30-37H,9-17H2,1-8H3,(H,44,56)(H2,41,45,67)(H2,42,46,68)/t27-,28-,30-,31-,32+,33+,34+,35+,36+,37+/m1/s1 |
| InChIKey | MCBLGCBHRGACMZ-HQVROIPZSA-N |
| Literature Reference Author | J.M.BENITO,M.GOMEZ-GARCIA,C.O.MELLET,I.BAUSSANNE,J.DEFAYE,J. M.G.FERNANDEZ |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,10355(2004) |
| Literature Reference DOI | 10.1021/ja047864v |
| Molecular Weight | 1007.052 g/mol |
| Sample ID | 27878 |
| Solvent | CDCl3 |