![[BIS-5-ACETAMIDOMETHYL-CYS-(51),CYS-(56)-O-(BETA-D-GLUCOPYRANOSYL)-SER-(53)]-HBF-IX(51-56)](/api/spectrum/59w6qTs3E2Y/structure.png?h=300&w=458 "[BIS-5-ACETAMIDOMETHYL-CYS-(51),CYS-(56)-O-(BETA-D-GLUCOPYRANOSYL)-SER-(53)]-HBF-IX(51-56)")
| SpectraBase Compound ID | 8zBsZHmTUH3 |
|---|---|
| InChI | InChI=1S/C35H57N9O18S2/c1-15(46)38-13-63-11-17(36)29(54)40-18(5-6-25(49)50)30(55)42-20(10-61-35-28(53)27(52)26(51)23(9-45)62-35)31(56)41-19(8-24(37)48)33(58)44-7-3-4-22(44)32(57)43-21(34(59)60)12-64-14-39-16(2)47/h17-23,26-28,35,45,51-53H,3-14,36H2,1-2H3,(H2,37,48)(H,38,46)(H,39,47)(H,40,54)(H,41,56)(H,42,55)(H,43,57)(H,49,50)(H,59,60)/t17?,18?,19?,20?,21?,22?,23-,26-,27+,28-,35-/m0/s1 |
| InChIKey | HBANDURSAXYIOV-DAMBNNQWSA-N |
| Mol Weight | 956.0 g/mol |
| Molecular Formula | C35H57N9O18S2 |
| Exact Mass | 955.326298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 59w6qTs3E2Y |
|---|---|
| Name | [BIS-5-ACETAMIDOMETHYL-CYS-(51),CYS-(56)-O-(BETA-D-GLUCOPYRANOSYL)-SER-(53)]-HBF-IX(51-56) |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H57N9O18S2 |
| InChI | InChI=1S/C35H57N9O18S2/c1-15(46)38-13-63-11-17(36)29(54)40-18(5-6-25(49)50)30(55)42-20(10-61-35-28(53)27(52)26(51)23(9-45)62-35)31(56)41-19(8-24(37)48)33(58)44-7-3-4-22(44)32(57)43-21(34(59)60)12-64-14-39-16(2)47/h17-23,26-28,35,45,51-53H,3-14,36H2,1-2H3,(H2,37,48)(H,38,46)(H,39,47)(H,40,54)(H,41,56)(H,42,55)(H,43,57)(H,49,50)(H,59,60)/t17?,18?,19?,20?,21?,22?,23-,26-,27+,28-,35-/m0/s1 |
| InChIKey | HBANDURSAXYIOV-DAMBNNQWSA-N |
| Literature Reference Author | K.B.REIMER,M.MELDAL,S.KUSUMOTO,K.FUKASE,K.BOCK |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,925(1993) |
| Literature Reference DOI | 10.1039/p19930000925 |
| Molecular Weight | 956.007 g/mol |
| Solvent | H2O:D2O=9:1;PH=2.8 |
| Source File Reference | UWCS19441 |