| SpectraBase Compound ID | FikQhvynEie |
|---|---|
| InChI | InChI=1S/C18H38N6O9.6C2H4O2/c19-2-6-8(23)12(27)14(29)18(30-6)33-16-10(25)4(21)1-5(22)15(16)32-17-9(24)13(28)11(26)7(3-20)31-17;6*1-2(3)4/h4-18,25-29H,1-3,19-24H2;6*1H3,(H,3,4)/t4-,5+,6-,7+,8-,9+,10+,11+,12+,13+,14-,15-,16-,17+,18+;;;;;;/m1....../s1 |
| InChIKey | OQFAEIXRKWWXSX-CBYMHUHUSA-N |
| Mol Weight | 842.847 g/mol |
| Molecular Formula | C30H62N6O21 |
| Exact Mass | 842.396803 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9iBnIHZKKGU |
|---|---|
| Name | OQFAEIXRKWWXSX-CBYMHUHUSA-N |
| Compound Number | TC003-ACETATE-SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H62N6O21 |
| InChI | InChI=1S/C18H38N6O9.6C2H4O2/c19-2-6-8(23)12(27)14(29)18(30-6)33-16-10(25)4(21)1-5(22)15(16)32-17-9(24)13(28)11(26)7(3-20)31-17;6*1-2(3)4/h4-18,25-29H,1-3,19-24H2;6*1H3,(H,3,4)/t4-,5+,6-,7+,8-,9+,10+,11+,12+,13+,14-,15-,16-,17+,18+;;;;;;/m1....../s1 |
| InChIKey | OQFAEIXRKWWXSX-CBYMHUHUSA-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 | 842.850 g/mol |
| Sample ID | 37970 |
| Solvent | D2O |