| SpectraBase Compound ID | 8NkgHYoSM2 |
|---|---|
| InChI | InChI=1S/C58H60O13S/c1-3-72-58-54(70-56(61)46-32-20-9-21-33-46)52(50(67-40(2)59)48(69-58)39-66-55(60)45-30-18-8-19-31-45)71-57-53(65-37-44-28-16-7-17-29-44)51(64-36-43-26-14-6-15-27-43)49(63-35-42-24-12-5-13-25-42)47(68-57)38-62-34-41-22-10-4-11-23-41/h4-33,47-54,57-58H,3,34-39H2,1-2H3/t47-,48-,49+,50+,51+,52+,53-,54-,57-,58+/m1/s1 |
| InChIKey | SKWOXWQAVBOFTD-MHVGQWSBSA-N |
| Mol Weight | 997.2 g/mol |
| Molecular Formula | C58H60O13S |
| Exact Mass | 996.375463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3BICmJljta3 |
|---|---|
| Name | ETHYL-4-O-ACETYL-2,6-DI-O-BENZOYL-3-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GALACTOPYRANOSYL)-1-THIO-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H60O13S |
| InChI | InChI=1S/C58H60O13S/c1-3-72-58-54(70-56(61)46-32-20-9-21-33-46)52(50(67-40(2)59)48(69-58)39-66-55(60)45-30-18-8-19-31-45)71-57-53(65-37-44-28-16-7-17-29-44)51(64-36-43-26-14-6-15-27-43)49(63-35-42-24-12-5-13-25-42)47(68-57)38-62-34-41-22-10-4-11-23-41/h4-33,47-54,57-58H,3,34-39H2,1-2H3/t47-,48-,49+,50+,51+,52+,53-,54-,57-,58+/m1/s1 |
| InChIKey | SKWOXWQAVBOFTD-MHVGQWSBSA-N |
| Literature Reference Author | T.ZHU,G.J.BOONS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,857(1998) |
| Literature Reference DOI | 10.1039/a708006i |
| Molecular Weight | 997.167 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP741 |