![4-O-(4-O-[2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSYL]-3-O-[N-ACETYL-ALPHA-D-NEURAMINIC-ACID-2-YL]-BETA-D-GALACTOPYRANOSYL-BETA-D](/api/spectrum/1QR9Y2LTjvV/structure.png?h=300&w=458 "4-O-(4-O-[2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSYL]-3-O-[N-ACETYL-ALPHA-D-NEURAMINIC-ACID-2-YL]-BETA-D-GALACTOPYRANOSYL-BETA-D")
| SpectraBase Compound ID | 3bplBOrNTgX |
|---|---|
| InChI | InChI=1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-30(17)19(49)12(48)4-40)68-31-26(56)35(64-27-15(7-43)60-32(57)24(54)23(27)53)63-16(8-44)28(31)65-33-18(39-10(2)46)29(21(51)14(6-42)61-33)66-34-25(55)22(52)20(50)13(5-41)62-34/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23+,24?,25+,26+,27+,28-,29+,30+,31+,32+,33-,34-,35-,37-/m0/s1 |
| InChIKey | NSWYGIPOSHIRHB-NAHLEICZSA-N |
| Mol Weight | 998.9 g/mol |
| Molecular Formula | C37H62N2O29 |
| Exact Mass | 998.343824 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1QR9Y2LTjvV |
|---|---|
| Name | 4-O-(4-O-[2-ACETAMIDO-2-DEOXY-3-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GALACTOPYRANOSYL]-3-O-[N-ACETYL-ALPHA-D-NEURAMINIC-ACID-2-YL]-BETA-D-GALACTOPYRANOSYL-BETA-D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H62N2O29 |
| InChI | InChI=1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-30(17)19(49)12(48)4-40)68-31-26(56)35(64-27-15(7-43)60-32(57)24(54)23(27)53)63-16(8-44)28(31)65-33-18(39-10(2)46)29(21(51)14(6-42)61-33)66-34-25(55)22(52)20(50)13(5-41)62-34/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23+,24?,25+,26+,27+,28-,29+,30+,31+,32+,33-,34-,35-,37-/m0/s1 |
| InChIKey | NSWYGIPOSHIRHB-NAHLEICZSA-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 | 998.895 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS8698 |