| SpectraBase Compound ID | 3vyqHkoawiK |
|---|---|
| InChI | InChI=1S/C40H44N2O9/c1-28(43)41-35-37(49-25-31-19-11-5-12-20-31)36(48-24-30-17-9-4-10-18-30)34(27-47-23-29-15-7-3-8-16-29)51-40(35)50-26-33(39(45)46-2)42-38(44)32-21-13-6-14-22-32/h3-22,33-37,40H,23-27H2,1-2H3,(H,41,43)(H,42,44)/t33-,34+,35+,36+,37+,40+/m0/s1 |
| InChIKey | JQSMPGHGKGPYFZ-XEYKWFSRSA-N |
| Mol Weight | 696.8 g/mol |
| Molecular Formula | C40H44N2O9 |
| Exact Mass | 696.304681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A2Rk5MjxdhR |
|---|---|
| Name | O-(2-ACETAMIDO-3,4,6-TRI-O-BENZYL-2-DEOXY-BETA-D-GALACTOPYRANOSYL)-N-(BENZOYL)-L-SERINE-METHYLESTER |
| Compound Number | 43 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H44N2O9 |
| InChI | InChI=1S/C40H44N2O9/c1-28(43)41-35-37(49-25-31-19-11-5-12-20-31)36(48-24-30-17-9-4-10-18-30)34(27-47-23-29-15-7-3-8-16-29)51-40(35)50-26-33(39(45)46-2)42-38(44)32-21-13-6-14-22-32/h3-22,33-37,40H,23-27H2,1-2H3,(H,41,43)(H,42,44)/t33-,34+,35+,36+,37+,40+/m0/s1 |
| InChIKey | JQSMPGHGKGPYFZ-XEYKWFSRSA-N |
| Literature Reference Author | N.BARROCA,R.R.SCHMIDT |
| Literature Reference Citation | ORG.LETTERS,6,1551(2004) |
| Literature Reference DOI | 10.1021/ol049729t |
| Molecular Weight | 696.797 g/mol |
| Sample ID | 45780 |
| Solvent | CDCl3 |