| SpectraBase Compound ID | DiNNHJyHiWj |
|---|---|
| InChI | InChI=1S/C40H42O16S2/c1-47-39-32(42)35(34-30(51-39)22-50-38(54-34)26-11-7-4-8-12-26)55-57(43,44)27-17-13-23(14-18-27)24-15-19-28(20-16-24)58(45,46)56-36-31(41)33-29(52-40(36)48-2)21-49-37(53-33)25-9-5-3-6-10-25/h3-20,29-42H,21-22H2,1-2H3/t29-,30-,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+/m0/s1 |
| InChIKey | IHFXIJFSSASGCQ-VZMGMLRKSA-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 | 8jvBUmSDXED |
|---|---|
| Name | #13A;(METHYL-4,6-O-BENZYLIDENE-2-DEOXY-ALPHA-D-MANNOPYRANOSIDE-2-YL)-(METHYL-4,6-O-BENZYLIDENE-3-DEOXY-ALPHA-D-MANNOPYRANOSIDE-3-YL)-4,4'-BIPHENYLDISULFONATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H42O16S2 |
| InChI | InChI=1S/C40H42O16S2/c1-47-39-32(42)35(34-30(51-39)22-50-38(54-34)26-11-7-4-8-12-26)55-57(43,44)27-17-13-23(14-18-27)24-15-19-28(20-16-24)58(45,46)56-36-31(41)33-29(52-40(36)48-2)21-49-37(53-33)25-9-5-3-6-10-25/h3-20,29-42H,21-22H2,1-2H3/t29-,30-,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+/m0/s1 |
| InChIKey | IHFXIJFSSASGCQ-VZMGMLRKSA-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 | UWCP2482 |