| SpectraBase Compound ID | 9XclEtGMF9C |
|---|---|
| InChI | InChI=1S/C59H109N7O9S3.C2HF3O2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-77-44-50(59(74)75-5)65-57(72)51-35-34-38-66(51)58(73)48(41-46(3)4)62-53(68)43-61-55(70)47(37-40-76-6)64-56(71)49(63-52(67)42-60)45-78-54(69)36-32-30-28-26-24-22-20-18-16-14-12-10-8-2;3-2(4,5)1(6)7/h46-51H,7-45,60H2,1-6H3,(H,61,70)(H,62,68)(H,63,67)(H,64,71)(H,65,72);(H,6,7)/t47-,48+,49-,50+,51+;/m1./s1 |
| InChIKey | RHQJPNRNCQKFQY-WLQMSRCISA-N |
| Mol Weight | 1270.8 g/mol |
| Molecular Formula | C61H110F3N7O11S3 |
| Exact Mass | 1269.737755 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pQmUjx1g3W |
|---|---|
| Name | GLYCYL-S-PALMITOYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-HEXADECYL-L-CYSTEINE-METHYLESTER-HYDROTRIFLUOROACETATE |
| Compound Number | 55 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H110F3N7O11S3 |
| InChI | InChI=1S/C59H109N7O9S3.C2HF3O2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-77-44-50(59(74)75-5)65-57(72)51-35-34-38-66(51)58(73)48(41-46(3)4)62-53(68)43-61-55(70)47(37-40-76-6)64-56(71)49(63-52(67)42-60)45-78-54(69)36-32-30-28-26-24-22-20-18-16-14-12-10-8-2;3-2(4,5)1(6)7/h46-51H,7-45,60H2,1-6H3,(H,61,70)(H,62,68)(H,63,67)(H,64,71)(H,65,72);(H,6,7)/t47-,48+,49-,50+,51+;/m1./s1 |
| InChIKey | RHQJPNRNCQKFQY-WLQMSRCISA-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 | 1270.760 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWSI23444 |