| SpectraBase Compound ID | 4fSxEFZOq0Z |
|---|---|
| InChI | InChI=1S/C51H54O21/c1-58-49-40(34(52)37-31(64-49)22-61-46(70-37)25-13-7-4-8-14-25)67-43(55)28-19-29(44(56)68-41-35(53)38-32(65-50(41)59-2)23-62-47(71-38)26-15-9-5-10-16-26)21-30(20-28)45(57)69-42-36(54)39-33(66-51(42)60-3)24-63-48(72-39)27-17-11-6-12-18-27/h4-21,31-42,46-54H,22-24H2,1-3H3/t31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42+,46+,47+,48-,49+,50+,51-/m0/s1 |
| InChIKey | JKBBVCKCUBZDFY-SWAOQJLHSA-N |
| Mol Weight | 1003.0 g/mol |
| Molecular Formula | C51H54O21 |
| Exact Mass | 1002.315759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 84df0KecZqA |
|---|---|
| Name | TRIS-(METHYL-4,6-O-BENZYLIDENE-2-DEOXY-ALPHA-D-GLUCOPYRANOSID-2-YL)-(1,3,5-BENZENE-TRICARBOXYLATE) |
| Compound Number | 2G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H54O21 |
| InChI | InChI=1S/C51H54O21/c1-58-49-40(34(52)37-31(64-49)22-61-46(70-37)25-13-7-4-8-14-25)67-43(55)28-19-29(44(56)68-41-35(53)38-32(65-50(41)59-2)23-62-47(71-38)26-15-9-5-10-16-26)21-30(20-28)45(57)69-42-36(54)39-33(66-51(42)60-3)24-63-48(72-39)27-17-11-6-12-18-27/h4-21,31-42,46-54H,22-24H2,1-3H3/t31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42+,46+,47+,48-,49+,50+,51-/m0/s1 |
| InChIKey | JKBBVCKCUBZDFY-SWAOQJLHSA-N |
| Literature Reference Author | H.NAMAZI,T.B.GRINDLEY |
| Literature Reference Citation | CAN.J.CHEM.,75,983(1997) |
| Literature Reference DOI | 10.1139/v97-118 |
| Molecular Weight | 1002.977 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2474 |