| SpectraBase Compound ID | 53vPMB19pPD |
|---|---|
| InChI | InChI=1S/C18H36N4O9.4C2H4O2/c1-5-2-8(23)12(25)18(28-5)31-16-11(24)6(20)3-7(21)15(16)30-17-10(22)14(27)13(26)9(4-19)29-17;4*1-2(3)4/h5-18,23-27H,2-4,19-22H2,1H3;4*1H3,(H,3,4)/t5-,6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16?,17+,18+;;;;/m1..../s1 |
| InChIKey | YNHBMTVZAGHWKF-YNHNFNCXSA-N |
| Mol Weight | 692.713 g/mol |
| Molecular Formula | C26H52N4O17 |
| Exact Mass | 692.332746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPZXxDpm8P0 |
|---|---|
| Name | YNHBMTVZAGHWKF-YNHNFNCXSA-N |
| Compound Number | TC017-ACETATE-SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H52N4O17 |
| InChI | InChI=1S/C18H36N4O9.4C2H4O2/c1-5-2-8(23)12(25)18(28-5)31-16-11(24)6(20)3-7(21)15(16)30-17-10(22)14(27)13(26)9(4-19)29-17;4*1-2(3)4/h5-18,23-27H,2-4,19-22H2,1H3;4*1H3,(H,3,4)/t5-,6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16?,17+,18+;;;;/m1..../s1 |
| InChIKey | YNHBMTVZAGHWKF-YNHNFNCXSA-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 | 692.715 g/mol |
| Sample ID | 37977 |
| Solvent | D2O |