| SpectraBase Compound ID | FMhERMl2VA8 |
|---|---|
| InChI | InChI=1S/C30H45NO23/c32-5-11-15(36)16(37)20(41)28(48-11)52-25-13(7-34)50-30(22(43)18(25)39)54-26-14(8-35)51-29(23(44)19(26)40)53-24-12(6-33)49-27(21(42)17(24)38)47-10-3-1-9(2-4-10)31(45)46/h1-4,11-30,32-44H,5-8H2/t11-,12+,13+,14+,15-,16+,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27+,28+,29-,30-/m0/s1 |
| InChIKey | NPSLEEASXYBLOE-LKIKBYHQSA-N |
| Mol Weight | 787.7 g/mol |
| Molecular Formula | C30H45NO23 |
| Exact Mass | 787.238237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 55YJEBiyDa |
|---|---|
| Name | 4-NITROPHENYL-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CELLOBIOSIDE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H45NO23 |
| InChI | InChI=1S/C30H45NO23/c32-5-11-15(36)16(37)20(41)28(48-11)52-25-13(7-34)50-30(22(43)18(25)39)54-26-14(8-35)51-29(23(44)19(26)40)53-24-12(6-33)49-27(21(42)17(24)38)47-10-3-1-9(2-4-10)31(45)46/h1-4,11-30,32-44H,5-8H2/t11-,12+,13+,14+,15-,16+,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27+,28+,29-,30-/m0/s1 |
| InChIKey | NPSLEEASXYBLOE-LKIKBYHQSA-N |
| Literature Reference Author | J.WEI,X.LV,Y.LUE,G.YANG,L.FU,L.YANG,J.WANG,J.GAO,S.CHENG,Q.D UAN,C.JIN,X.LI |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,2414(2013) |
| Literature Reference DOI | 10.1002/ejoc.201201507 |
| Molecular Weight | 787.680 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT17710 |