| SpectraBase Compound ID | DymlRBUcgM1 |
|---|---|
| InChI | InChI=1S/C32H50N2O23/c1-3-50-27-13(17(42)20(27)45)34-29-22(47)21(46)26(11(6-37)51-29)56-32-24(49)28(16(41)10(5-36)53-32)57-30-14(33-8(2)39)18(43)25(12(7-38)54-30)55-31-23(48)19(44)15(40)9(4-35)52-31/h9-12,14-16,18-19,21-26,28-32,34-38,40-41,43-44,46-49H,3-7H2,1-2H3,(H,33,39)/t9-,10+,11+,12+,14+,15+,16-,18+,19+,21+,22+,23-,24+,25+,26+,28-,29+,30-,31+,32-/m0/s1 |
| InChIKey | DOLLKDAJVGWVGW-LUNAMOFPSA-N |
| Mol Weight | 830.7 g/mol |
| Molecular Formula | C32H50N2O23 |
| Exact Mass | 830.280436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1X7TxkE5dNR |
|---|---|
| Name | LACTO-N-TETRAOSE_SQUARIC_ACID_COMJUGATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50N2O23 |
| InChI | InChI=1S/C32H50N2O23/c1-3-50-27-13(17(42)20(27)45)34-29-22(47)21(46)26(11(6-37)51-29)56-32-24(49)28(16(41)10(5-36)53-32)57-30-14(33-8(2)39)18(43)25(12(7-38)54-30)55-31-23(48)19(44)15(40)9(4-35)52-31/h9-12,14-16,18-19,21-26,28-32,34-38,40-41,43-44,46-49H,3-7H2,1-2H3,(H,33,39)/t9-,10+,11+,12+,14+,15+,16-,18+,19+,21+,22+,23-,24+,25+,26+,28-,29+,30-,31+,32-/m0/s1 |
| InChIKey | DOLLKDAJVGWVGW-LUNAMOFPSA-N |
| Literature Reference Author | O.BLIXT,T.NORBERG |
| Literature Reference Citation | CARBOHYDR.RES.,319,80(1999) |
| Literature Reference DOI | 10.1016/S0008-6215(99)00135-4 |
| Molecular Weight | 830.749 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ1802 |