| SpectraBase Compound ID | Kv6LTxa3qbL |
|---|---|
| InChI | InChI=1S/C43H77N7O10S2.C2HF3O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-38(54)62-29-34(47-36(52)26-44)40(56)48-31(22-24-61-5)39(55)45-27-37(53)46-32(25-30(2)3)42(58)50-23-19-20-35(50)41(57)49-33(28-51)43(59)60-4;3-2(4,5)1(6)7/h30-35,51H,6-29,44H2,1-5H3,(H,45,55)(H,46,53)(H,47,52)(H,48,56)(H,49,57);(H,6,7)/t31-,32+,33-,34-,35+;/m1./s1 |
| InChIKey | VIOCVNCXVDZWMY-JDJJFZJMSA-N |
| Mol Weight | 1030.3 g/mol |
| Molecular Formula | C45H78F3N7O12S2 |
| Exact Mass | 1029.510198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9wATJq64hzF |
|---|---|
| Name | GLYCYL-S-PALMITOYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-L-SERINE-METHYLESTER-HYDROTRIFLUOROACETATE |
| Compound Number | 61 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H78F3N7O12S2 |
| InChI | InChI=1S/C43H77N7O10S2.C2HF3O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-38(54)62-29-34(47-36(52)26-44)40(56)48-31(22-24-61-5)39(55)45-27-37(53)46-32(25-30(2)3)42(58)50-23-19-20-35(50)41(57)49-33(28-51)43(59)60-4;3-2(4,5)1(6)7/h30-35,51H,6-29,44H2,1-5H3,(H,45,55)(H,46,53)(H,47,52)(H,48,56)(H,49,57);(H,6,7)/t31-,32+,33-,34-,35+;/m1./s1 |
| InChIKey | VIOCVNCXVDZWMY-JDJJFZJMSA-N |
| Literature Reference Author | K.KUHN,D.J.OWEN,B.BADER,A.WITTINGHOFER,J.KUHLMANN,H.WALDMANN |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,1023(2001) |
| Literature Reference DOI | 10.1021/ja002723o |
| Molecular Weight | 1030.269 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI23452 |