| SpectraBase Compound ID | BO69ESg6Teq |
|---|---|
| InChI | InChI=1S/C48H51N3O9S/c1-61-48-45(55-30-36-23-13-5-14-24-36)44(54-29-35-21-11-4-12-22-35)42(38(58-48)31-52-27-33-17-7-2-8-18-33)60-47-40(50-51-49)43(53-28-34-19-9-3-10-20-34)41-39(57-47)32-56-46(59-41)37-25-15-6-16-26-37/h2-26,38-48H,27-32H2,1H3/t38-,39+,40-,41+,42-,43+,44+,45-,46?,47-,48+/m1/s1 |
| InChIKey | ONZBTPRFIAJFIN-IITJNVRUSA-N |
| Mol Weight | 846.0 g/mol |
| Molecular Formula | C48H51N3O9S |
| Exact Mass | 845.334601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DpvcdL86KnK |
|---|---|
| Name | METHYL-4-O-(2-AZIDO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-MANNOPYRANOSYL)-2,3,6-TRI-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H51N3O9S |
| InChI | InChI=1S/C48H51N3O9S/c1-61-48-45(55-30-36-23-13-5-14-24-36)44(54-29-35-21-11-4-12-22-35)42(38(58-48)31-52-27-33-17-7-2-8-18-33)60-47-40(50-51-49)43(53-28-34-19-9-3-10-20-34)41-39(57-47)32-56-46(59-41)37-25-15-6-16-26-37/h2-26,38-48H,27-32H2,1H3/t38-,39+,40-,41+,42-,43+,44+,45-,46?,47-,48+/m1/s1 |
| InChIKey | ONZBTPRFIAJFIN-IITJNVRUSA-N |
| Literature Reference Author | M.NILSSON,T.NORBERG |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1699(1998) |
| Literature Reference DOI | 10.1039/a709293h |
| Molecular Weight | 846.008 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7322 |