| SpectraBase Compound ID | 82tWCFRD8NS |
|---|---|
| InChI | InChI=1S/C40H69N5O7S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-25-37(49)54-30-32(39(50)52-27-4-2)43-36(48)28-42-35(47)23-17-16-21-26-41-34(46)24-20-19-22-33-38-31(29-53-33)44-40(51)45-38/h4,31-33,38H,2-3,5-30H2,1H3,(H,41,46)(H,42,47)(H,43,48)(H2,44,45,51)/t31-,32-,33-,38-/m0/s1 |
| InChIKey | YUXOUHNGKMBELE-WJSGGGMGSA-N |
| Mol Weight | 796.1 g/mol |
| Molecular Formula | C40H69N5O7S2 |
| Exact Mass | 795.463842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80EVPXXA4ru |
|---|---|
| Name | BIOTINYL-AMINOCAPROYL-GLYCYL-(S-PALMITOYL)-L-CYSTEINE-ALLYLESTER;BIOTACAGLYCYS(PAL)OALL |
| Compound Number | 39 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H69N5O7S2 |
| InChI | InChI=1S/C40H69N5O7S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-25-37(49)54-30-32(39(50)52-27-4-2)43-36(48)28-42-35(47)23-17-16-21-26-41-34(46)24-20-19-22-33-38-31(29-53-33)44-40(51)45-38/h4,31-33,38H,2-3,5-30H2,1H3,(H,41,46)(H,42,47)(H,43,48)(H2,44,45,51)/t31-,32-,33-,38-/m0/s1 |
| InChIKey | YUXOUHNGKMBELE-WJSGGGMGSA-N |
| Literature Reference Author | M.SCHELHAAS,E.NAEGELE,N.KUDER,B.BADER,J.KUHLMANN,A.WITTINGHO FER,H.WALDMANN |
| Literature Reference Citation | CHEM.EUR.J.,5,1239(1999) |
| Literature Reference DOI | 10.1002/(sici)1521-3765(19990401)5:4<1239::aid-chem1239>3.3.co;2-e |
| Molecular Weight | 796.137 g/mol |
| Solvent | CD3OD |