| SpectraBase Compound ID | DwEZGwPtaUU |
|---|---|
| InChI | InChI=1S/C34H47N5O12/c1-3-18(2)27(33(48)49)38-31(46)23(14-19-7-5-4-6-8-19)37-25(41)15-36-26(42)17-39(16-24-28(43)29(44)30(45)34(50)51-24)32(47)22(35)13-20-9-11-21(40)12-10-20/h4-12,18,22-24,27-30,34,40,43-45,50H,3,13-17,35H2,1-2H3,(H,36,42)(H,37,41)(H,38,46)(H,48,49)/t18?,22?,23?,24-,27?,28+,29+,30-,34-/m0/s1 |
| InChIKey | TXHPMCCAALINNE-GYHIXRDFSA-N |
| Mol Weight | 717.8 g/mol |
| Molecular Formula | C34H47N5O12 |
| Exact Mass | 717.322122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASxUQV6Ok4E |
|---|---|
| Name | L-TYROSYL-N-(6-DEOXY-BETA-D-GALACTOS-6-YL)-GLYCYLGLYCYL-L-PHENYLALANYL-L-LEUCINE |
| Compound Number | 7-BETA-TRANS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H47N5O12 |
| InChI | InChI=1S/C34H47N5O12/c1-3-18(2)27(33(48)49)38-31(46)23(14-19-7-5-4-6-8-19)37-25(41)15-36-26(42)17-39(16-24-28(43)29(44)30(45)34(50)51-24)32(47)22(35)13-20-9-11-21(40)12-10-20/h4-12,18,22-24,27-30,34,40,43-45,50H,3,13-17,35H2,1-2H3,(H,36,42)(H,37,41)(H,38,46)(H,48,49)/t18?,22?,23?,24-,27?,28+,29+,30-,34-/m0/s1 |
| InChIKey | TXHPMCCAALINNE-GYHIXRDFSA-N |
| Literature Reference Author | M.CUDIC,J.HORVAT,M.ELOFSSON,K.E.BERGQUIST,J.KIHLBERG,S.HORVA T |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1789(1998) |
| Literature Reference DOI | 10.1039/a801472h |
| Molecular Weight | 717.773 g/mol |
| Solvent | H2O:D2O=9:1;PH=5.6 |
| Source File Reference | UWSI7336 |