| SpectraBase Compound ID | 2cS20oEZDSd |
|---|---|
| InChI | InChI=1S/C46H42O14S/c47-35-33(56-45(37(49)36(35)48)61-32-24-14-5-15-25-32)27-54-46(31-22-12-4-13-23-31)59-40-39(58-43(52)30-20-10-3-11-21-30)38(57-42(51)29-18-8-2-9-19-29)34(55-44(40)60-46)26-53-41(50)28-16-6-1-7-17-28/h1-25,33-40,44-45,47-49H,26-27H2/t33-,34-,35-,36+,37-,38-,39+,40-,44-,45+,46+/m0/s1 |
| InChIKey | PTPHQCRNUDBOQI-XAYISARJSA-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 | 2zEGXm2EVxU |
|---|---|
| Name | 3,4,6-TRI-O-BENZOYL-1,2-O-(PHENYL-1-THIO-BETA-D-GLUCOPYRANOSYL-6-YLOXY-1-BENZYLIDENE)-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| 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(56-45(37(49)36(35)48)61-32-24-14-5-15-25-32)27-54-46(31-22-12-4-13-23-31)59-40-39(58-43(52)30-20-10-3-11-21-30)38(57-42(51)29-18-8-2-9-19-29)34(55-44(40)60-46)26-53-41(50)28-16-6-1-7-17-28/h1-25,33-40,44-45,47-49H,26-27H2/t33-,34-,35-,36+,37-,38-,39+,40-,44-,45+,46+/m0/s1 |
| InChIKey | PTPHQCRNUDBOQI-XAYISARJSA-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 | UWBT18520 |