| SpectraBase Compound ID | ImA6lIqjkcL |
|---|---|
| InChI | InChI=1S/C40H42O16S2/c1-47-39-31(41)35(33-29(51-39)21-49-37(53-33)25-9-5-3-6-10-25)55-57(43,44)27-17-13-23(14-18-27)24-15-19-28(20-16-24)58(45,46)56-36-32(42)40(48-2)52-30-22-50-38(54-34(30)36)26-11-7-4-8-12-26/h3-20,29-42H,21-22H2,1-2H3/t29-,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+/m0/s1 |
| InChIKey | HPOKYNCOVCKWGY-XLTBEDIDSA-N |
| Mol Weight | 842.9 g/mol |
| Molecular Formula | C40H42O16S2 |
| Exact Mass | 842.191428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LjsGe5tS2vE |
|---|---|
| Name | BIS-(METHYL-4,6-O-BENZYLIDENE-3-DEOXY-ALPHA-D-MANNOPYRANOSIDE-3-YL)-4,4'-BIPHENYLDISULFONATE |
| Compound Number | 13B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H42O16S2 |
| InChI | InChI=1S/C40H42O16S2/c1-47-39-31(41)35(33-29(51-39)21-49-37(53-33)25-9-5-3-6-10-25)55-57(43,44)27-17-13-23(14-18-27)24-15-19-28(20-16-24)58(45,46)56-36-32(42)40(48-2)52-30-22-50-38(54-34(30)36)26-11-7-4-8-12-26/h3-20,29-42H,21-22H2,1-2H3/t29-,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+/m0/s1 |
| InChIKey | HPOKYNCOVCKWGY-XLTBEDIDSA-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 | 842.884 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2483 |