| SpectraBase Compound ID | 50eBG9NXEIP |
|---|---|
| InChI | InChI=1S/C36H49N5O14/c1-19(2)12-25(35(52)54-18-26-30(47)31(48)32(49)36(53)55-26)41-34(51)24(13-20-6-4-3-5-7-20)39-28(45)16-37-27(44)15-38-33(50)23(40-29(46)17-42)14-21-8-10-22(43)11-9-21/h3-11,19,23-26,30-32,36,42-43,47-49,53H,12-18H2,1-2H3,(H,37,44)(H,38,50)(H,39,45)(H,40,46)(H,41,51)/t23?,24?,25?,26-,30-,31+,32+,36-/m1/s1 |
| InChIKey | ITGXTVLUOCEXFQ-ZLFWBJTLSA-N |
| Mol Weight | 775.8 g/mol |
| Molecular Formula | C36H49N5O14 |
| Exact Mass | 775.327601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ivVuO4WOPV |
|---|---|
| Name | 6-O-(L-TYROSILGLYCYLGLYCYL-L-PHENYLALANYL-L-LEUCYL)-BETA-D-MANOPYRANOSE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H49N5O14 |
| InChI | InChI=1S/C36H49N5O14/c1-19(2)12-25(35(52)54-18-26-30(47)31(48)32(49)36(53)55-26)41-34(51)24(13-20-6-4-3-5-7-20)39-28(45)16-37-27(44)15-38-33(50)23(40-29(46)17-42)14-21-8-10-22(43)11-9-21/h3-11,19,23-26,30-32,36,42-43,47-49,53H,12-18H2,1-2H3,(H,37,44)(H,38,50)(H,39,45)(H,40,46)(H,41,51)/t23?,24?,25?,26-,30-,31+,32+,36-/m1/s1 |
| InChIKey | ITGXTVLUOCEXFQ-ZLFWBJTLSA-N |
| Literature Reference Author | L.VARGA-DEFTERDAROVIC,D.VIKIC-TOPIC,S.HORVAT |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2829(1999) |
| Literature Reference DOI | 10.1039/a902522g |
| Molecular Weight | 775.810 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRU8878 |