| SpectraBase Compound ID | 5sZrsJLvesU |
|---|---|
| InChI | InChI=1S/C46H42O14S/c47-35-33(57-46(37(49)36(35)48)61-32-24-14-5-15-25-32)26-55-45-40(60-44(53)31-22-12-4-13-23-31)39(59-43(52)30-20-10-3-11-21-30)38(58-42(51)29-18-8-2-9-19-29)34(56-45)27-54-41(50)28-16-6-1-7-17-28/h1-25,33-40,45-49H,26-27H2/t33-,34+,35-,36+,37+,38+,39-,40+,45+,46-/m0/s1 |
| InChIKey | VWJSXKMZXQZMCA-IKIISNIZSA-N |
| Mol Weight | 850.9 g/mol |
| Molecular Formula | C46H42O14S |
| Exact Mass | 850.229527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJrt6WjxUiJ |
|---|---|
| Name | PHENYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-1-THIO-ALPHA-D-MANNOPYRANOSIDE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H42O14S |
| InChI | InChI=1S/C46H42O14S/c47-35-33(57-46(37(49)36(35)48)61-32-24-14-5-15-25-32)26-55-45-40(60-44(53)31-22-12-4-13-23-31)39(59-43(52)30-20-10-3-11-21-30)38(58-42(51)29-18-8-2-9-19-29)34(56-45)27-54-41(50)28-16-6-1-7-17-28/h1-25,33-40,45-49H,26-27H2/t33-,34+,35-,36+,37+,38+,39-,40+,45+,46-/m0/s1 |
| InChIKey | VWJSXKMZXQZMCA-IKIISNIZSA-N |
| Literature Reference Author | A.MAGGI,R.MADSEN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,2683(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300026 |
| Molecular Weight | 850.891 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT18528 |