| SpectraBase Compound ID | 3CO4PiSiUxt |
|---|---|
| InChI | InChI=1S/C21H37NO19S.Na/c1-6(25)22-10-17(40-20-16(31)14(29)11(26)7(3-23)37-20)13(28)9(5-36-42(32,33)34)39-19(10)41-18-15(30)12(27)8(4-24)38-21(18)35-2;/h7-21,23-24,26-31H,3-5H2,1-2H3,(H,22,25)(H,32,33,34);/q;+1/p-1/t7-,8+,9-,10-,11+,12+,13-,14+,15-,16-,17-,18-,19+,20+,21-;/m1./s1 |
| InChIKey | WSBTZTCZWIMACJ-POIAVMKDSA-M |
| Mol Weight | 661.6 g/mol |
| Molecular Formula | C21H36NNaO19S |
| Exact Mass | 661.149993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KGApfAjOuw5 |
|---|---|
| Name | METHYL-O-(BETA-D-GALACTOPYRANOSYL)-(1->3)-O-(2-ACETAMIDO-2-DEOXY-6-O-SULFO-BETA-D-GLUCOPYRANOSYL-SODIUM-SALT)-(1->2)-ALPHA-D-MANNOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36NNaO19S |
| InChI | InChI=1S/C21H37NO19S.Na/c1-6(25)22-10-17(40-20-16(31)14(29)11(26)7(3-23)37-20)13(28)9(5-36-42(32,33)34)39-19(10)41-18-15(30)12(27)8(4-24)38-21(18)35-2;/h7-21,23-24,26-31H,3-5H2,1-2H3,(H,22,25)(H,32,33,34);/q;+1/p-1/t7-,8+,9-,10-,11+,12+,13-,14+,15-,16-,17-,18-,19+,20+,21-;/m1./s1 |
| InChIKey | WSBTZTCZWIMACJ-POIAVMKDSA-M |
| Literature Reference Author | B.G.HUANG,R.K.JAIN,W.A.TABACZYNSKI,J.L.ALDERFER,K.L.MATTA |
| Literature Reference Citation | CARBOHYDR.RES.,311,165(1998) |
| Literature Reference DOI | 10.1016/S0008-6215(98)00166-9 |
| Molecular Weight | 661.562 g/mol |
| Solvent | D2O |
| Source File Reference | UWRU5084 |