| SpectraBase Compound ID | BwoD9O76IjL |
|---|---|
| InChI | InChI=1S/C40H54O14/c1-45-39-35(31(43)33-27(49-39)23-47-37(53-33)25-17-11-9-12-18-25)51-29(41)21-15-7-5-3-4-6-8-16-22-30(42)52-36-32(44)34-28(50-40(36)46-2)24-48-38(54-34)26-19-13-10-14-20-26/h9-14,17-20,27-28,31-40,43-44H,3-8,15-16,21-24H2,1-2H3/t27-,28-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+/m1/s1 |
| InChIKey | PIRBWTLQWWBJIB-KTFPCYBJSA-N |
| Mol Weight | 758.9 g/mol |
| Molecular Formula | C40H54O14 |
| Exact Mass | 758.351356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KwIjnQnvGBY |
|---|---|
| Name | BIS-(METHYL-4,6-O-BENZYLIDENE-2-DEOXY-ALPHA-D-GLUCOPYRANOSID-2-YL)-DODECANEDIOATE |
| Compound Number | 2C |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54O14 |
| InChI | InChI=1S/C40H54O14/c1-45-39-35(31(43)33-27(49-39)23-47-37(53-33)25-17-11-9-12-18-25)51-29(41)21-15-7-5-3-4-6-8-16-22-30(42)52-36-32(44)34-28(50-40(36)46-2)24-48-38(54-34)26-19-13-10-14-20-26/h9-14,17-20,27-28,31-40,43-44H,3-8,15-16,21-24H2,1-2H3/t27-,28-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+/m1/s1 |
| InChIKey | PIRBWTLQWWBJIB-KTFPCYBJSA-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 | 758.860 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2469 |