![4-O-[4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSYL)-3-O-(N-ACETYL-ALPHA-D-NEURAMINIC-ACID-2-YL)-BETA-D-GALACTOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/2TYOYFlb6vy/structure.png?h=300&w=458 "4-O-[4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSYL)-3-O-(N-ACETYL-ALPHA-D-NEURAMINIC-ACID-2-YL)-BETA-D-GALACTOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | FdZIPiTrfSh |
|---|---|
| InChI | InChI=1S/C31H52N2O24/c1-8(38)32-15-10(40)3-31(30(49)50,56-25(15)17(42)11(41)4-34)57-26-22(47)29(54-23-13(6-36)51-27(48)21(46)20(23)45)53-14(7-37)24(26)55-28-16(33-9(2)39)19(44)18(43)12(5-35)52-28/h10-29,34-37,40-48H,3-7H2,1-2H3,(H,32,38)(H,33,39)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25+,26+,27+,28-,29-,31-/m0/s1 |
| InChIKey | CWLQYBRROKYXCE-XMPJNEMZSA-N |
| Mol Weight | 836.7 g/mol |
| Molecular Formula | C31H52N2O24 |
| Exact Mass | 836.291001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2TYOYFlb6vy |
|---|---|
| Name | 4-O-[4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSYL)-3-O-(N-ACETYL-ALPHA-D-NEURAMINIC-ACID-2-YL)-BETA-D-GALACTOPYRANOSYL]-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52N2O24 |
| InChI | InChI=1S/C31H52N2O24/c1-8(38)32-15-10(40)3-31(30(49)50,56-25(15)17(42)11(41)4-34)57-26-22(47)29(54-23-13(6-36)51-27(48)21(46)20(23)45)53-14(7-37)24(26)55-28-16(33-9(2)39)19(44)18(43)12(5-35)52-28/h10-29,34-37,40-48H,3-7H2,1-2H3,(H,32,38)(H,33,39)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25+,26+,27+,28-,29-,31-/m0/s1 |
| InChIKey | CWLQYBRROKYXCE-XMPJNEMZSA-N |
| Literature Reference Author | S.SABESAN,K.BOCK,R.U.LEMIEUX |
| Literature Reference Citation | CAN.J.CHEM.,62,1034(1984) |
| Literature Reference DOI | 10.1139/v84-172 |
| Molecular Weight | 836.753 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS8697 |