| SpectraBase Compound ID | 2fY7Y12tg7d |
|---|---|
| InChI | InChI=1S/C26H38N2O21S.Na/c1-9(30)27-15-23(49-26-22(37)19(34)16(31)12(6-29)46-26)18(33)14(8-44-50(40,41)42)47-24(15)43-7-13-17(32)20(35)21(36)25(48-13)45-11-4-2-10(3-5-11)28(38)39;/h2-5,12-26,29,31-37H,6-8H2,1H3,(H,27,30)(H,40,41,42);/q;+1/p-1/t12-,13+,14-,15-,16+,17+,18-,19+,20-,21-,22-,23-,24-,25-,26+;/m1./s1 |
| InChIKey | VBMSSEUAFFCXBP-BOUHTTGVSA-M |
| Mol Weight | 768.6 g/mol |
| Molecular Formula | C26H37N2NaO21S |
| Exact Mass | 768.150722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KK9XUH4wscb |
|---|---|
| Name | 4-NITROPHENYL-O-(BETA-D-GALACTOPYRANOSYL)-(1->3)-O-(2-ACETAMIDO-2-DEOXY-6-O-SULFO-BETA-D-GLUCOPYRANOSYL-SODIUM-SALT)-(1->6)-ALPHA-D-MANNOPYR |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H37N2NaO21S |
| InChI | InChI=1S/C26H38N2O21S.Na/c1-9(30)27-15-23(49-26-22(37)19(34)16(31)12(6-29)46-26)18(33)14(8-44-50(40,41)42)47-24(15)43-7-13-17(32)20(35)21(36)25(48-13)45-11-4-2-10(3-5-11)28(38)39;/h2-5,12-26,29,31-37H,6-8H2,1H3,(H,27,30)(H,40,41,42);/q;+1/p-1/t12-,13+,14-,15-,16+,17+,18-,19+,20-,21-,22-,23-,24-,25-,26+;/m1./s1 |
| InChIKey | VBMSSEUAFFCXBP-BOUHTTGVSA-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 | 768.630 g/mol |
| Solvent | D2O |
| Source File Reference | UWRU5083 |