| SpectraBase Compound ID | GjbcbrpbCWE |
|---|---|
| InChI | InChI=1S/C20H33NO16/c1-4-8(24)15(13(29)18(32)33-4)36-19-7(21-5(2)23)14(9(25)6(3-22)34-19)35-20-12(28)10(26)11(27)16(37-20)17(30)31/h4,6-16,18-20,22,24-29,32H,3H2,1-2H3,(H,21,23)(H,30,31)/t4-,6+,7+,8-,9+,10-,11-,12+,13+,14+,15+,16-,18-,19+,20+/m0/s1 |
| InChIKey | XNSIFNIFNKHVAW-KHFGBMLWSA-N |
| Mol Weight | 543.5 g/mol |
| Molecular Formula | C20H33NO16 |
| Exact Mass | 543.179934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KZ5HjjZ0rc |
|---|---|
| Name | BETA-TRISACCHARIDE (FROM SHIGELLA BOYDII, TYPE 9) |
| Comments | S |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H33NO16 |
| InChI | InChI=1S/C20H33NO16/c1-4-8(24)15(13(29)18(32)33-4)36-19-7(21-5(2)23)14(9(25)6(3-22)34-19)35-20-12(28)10(26)11(27)16(37-20)17(30)31/h4,6-16,18-20,22,24-29,32H,3H2,1-2H3,(H,21,23)(H,30,31)/t4-,6+,7+,8-,9+,10-,11-,12+,13+,14+,15+,16-,18-,19+,20+/m0/s1 |
| InChIKey | XNSIFNIFNKHVAW-KHFGBMLWSA-N |
| Instrument Name | Bruker WM-250 |
| Literature Reference | V.L.L'VOV, L.YU.MUSINA, A.S.SHASHKOV, G.P.ERMAKOV, B.A.DMITRIEV (1987)Bioorganich.Khim.(Russ. Lang.): v.13, N9, 1245-1255. |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |