| SpectraBase Compound ID | 3QFJ6jwlFJk |
|---|---|
| InChI | InChI=1S/C18H37N5O9.5C2H4O2/c1-4-8(22)12(26)14(28)18(29-4)32-16-10(24)5(20)2-6(21)15(16)31-17-9(23)13(27)11(25)7(3-19)30-17;5*1-2(3)4/h4-18,24-28H,2-3,19-23H2,1H3;5*1H3,(H,3,4)/t4-,5-,6+,7+,8-,9+,10+,11+,12+,13+,14-,15-,16-,17+,18+;;;;;/m1...../s1 |
| InChIKey | WTHQIJFTSHACJH-UOTZVUHUSA-N |
| Mol Weight | 767.78 g/mol |
| Molecular Formula | C28H57N5O19 |
| Exact Mass | 767.364775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K494J0gROHI |
|---|---|
| Name | WTHQIJFTSHACJH-UOTZVUHUSA-N |
| Compound Number | TC005-ACETATE-SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H57N5O19 |
| InChI | InChI=1S/C18H37N5O9.5C2H4O2/c1-4-8(22)12(26)14(28)18(29-4)32-16-10(24)5(20)2-6(21)15(16)31-17-9(23)13(27)11(25)7(3-19)30-17;5*1-2(3)4/h4-18,24-28H,2-3,19-23H2,1H3;5*1H3,(H,3,4)/t4-,5-,6+,7+,8-,9+,10+,11+,12+,13+,14-,15-,16-,17+,18+;;;;;/m1...../s1 |
| InChIKey | WTHQIJFTSHACJH-UOTZVUHUSA-N |
| Literature Reference Author | C.W.T.CHANG,Y.HUI,B.ELCHERT,J.WANG,J.LI,R.RAI |
| Literature Reference Citation | ORG.LETTERS,4,4603(2002) |
| Literature Reference DOI | 10.1021/ol0269042 |
| Molecular Weight | 767.783 g/mol |
| Sample ID | 37972 |
| Solvent | D2O |