| SpectraBase Compound ID | 5uvTJzxIqVd |
|---|---|
| InChI | InChI=1S/C18H37N5O10.5C2H4O2/c19-2-6-10(25)12(27)8(23)17(30-6)32-15-5(22)1-4(21)9(24)16(15)33-18-14(29)13(28)11(26)7(3-20)31-18;5*1-2(3)4/h4-18,24-29H,1-3,19-23H2;5*1H3,(H,3,4)/t4-,5+,6+,7-,8+,9+,10+,11-,12+,13+,14-,15-,16-,17+,18+;;;;;/m1...../s1 |
| InChIKey | WQORIWUQLYKJKC-BFQWFUSHSA-N |
| Mol Weight | 783.779 g/mol |
| Molecular Formula | C28H57N5O20 |
| Exact Mass | 783.359689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9tX9m9EMg1B |
|---|---|
| Name | WQORIWUQLYKJKC-BFQWFUSHSA-N |
| Compound Number | TC002-ACETATE-SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H57N5O20 |
| InChI | InChI=1S/C18H37N5O10.5C2H4O2/c19-2-6-10(25)12(27)8(23)17(30-6)32-15-5(22)1-4(21)9(24)16(15)33-18-14(29)13(28)11(26)7(3-20)31-18;5*1-2(3)4/h4-18,24-29H,1-3,19-23H2;5*1H3,(H,3,4)/t4-,5+,6+,7-,8+,9+,10+,11-,12+,13+,14-,15-,16-,17+,18+;;;;;/m1...../s1 |
| InChIKey | WQORIWUQLYKJKC-BFQWFUSHSA-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 | 783.782 g/mol |
| Sample ID | 37969 |
| Solvent | D2O |