| SpectraBase Compound ID | D67UMRyQbgP |
|---|---|
| InChI | InChI=1S/C22H40N2O16S/c1-9(26)40-24-3-6-41-5-2-4-35-20-16(33)19(15(32)17(37-20)10(27)7-25)39-21-14(31)12(29)13(30)18(38-21)11(28)8-36-22(23)34/h10-21,24-25,27-33H,2-8H2,1H3,(H2,23,34)/t10-,11-,12+,13+,14+,15+,16-,17+,18-,19-,20-,21-/m1/s1 |
| InChIKey | MJAHXNGDJDXKJL-JOPDDSDGSA-N |
| Mol Weight | 620.6 g/mol |
| Molecular Formula | C22H40N2O16S |
| Exact Mass | 620.209854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 88eXUldCu4P |
|---|---|
| Name | 3-(2-AMMONIUMETHYLTHIO)-PROPYL_(7-O-CARBAMOYL-L-GLYCERO-ALPHA-D-MANNO-HEPTOPYRANOSYL)-(1->3)-L-GLYCERO-BETA-D-MANNO-HEPTOPYRANOSIDE |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H40N2O16S |
| InChI | InChI=1S/C22H40N2O16S/c1-9(26)40-24-3-6-41-5-2-4-35-20-16(33)19(15(32)17(37-20)10(27)7-25)39-21-14(31)12(29)13(30)18(38-21)11(28)8-36-22(23)34/h10-21,24-25,27-33H,2-8H2,1H3,(H2,23,34)/t10-,11-,12+,13+,14+,15+,16-,17+,18-,19-,20-,21-/m1/s1 |
| InChIKey | MJAHXNGDJDXKJL-JOPDDSDGSA-N |
| Literature Reference Author | A.REITER,A.ZAMYATINA,H.SCHINDL,A.HOFINGER,P.KOSMA |
| Literature Reference Citation | CARBOHYDR.RES.,317,39(1999) |
| Literature Reference DOI | 10.1016/S0008-6215(99)00059-2 |
| Molecular Weight | 620.623 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ4682 |