| SpectraBase Compound ID | GPcBX0UQsDd |
|---|---|
| InChI | InChI=1S/2C18H30N4O9S/c2*1-9(24)20-11(12(25)19-3)7-32-6-10-4-5-31-18(13(26)16(2,29)8-23)15(28)21-17(10,30)14(27)22-18/h2*10-11,13,23,26,29-30H,4-8H2,1-3H3,(H,19,25)(H,20,24)(H,21,28)(H,22,27)/t2*10?,11?,13?,16?,17-,18+/m11/s1 |
| InChIKey | AGOCHXUQZNEKJM-CWXNPEMWSA-N |
| Mol Weight | 957.03 g/mol |
| Molecular Formula | C36H60N8O18S2 |
| Exact Mass | 956.346699 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HieIvp4zEhE |
|---|---|
| Name | AGOCHXUQZNEKJM-CWXNPEMWSA-N |
| Compound Number | 14C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H60N8O18S2 |
| InChI | InChI=1S/2C18H30N4O9S/c2*1-9(24)20-11(12(25)19-3)7-32-6-10-4-5-31-18(13(26)16(2,29)8-23)15(28)21-17(10,30)14(27)22-18/h2*10-11,13,23,26,29-30H,4-8H2,1-3H3,(H,19,25)(H,20,24)(H,21,28)(H,22,27)/t2*10?,11?,13?,16?,17-,18+/m11/s1 |
| InChIKey | AGOCHXUQZNEKJM-CWXNPEMWSA-N |
| Literature Reference Author | S.ABUZAR,H.KOHN |
| Literature Reference Citation | J.AM.CHEM.SOC.,112,3114(1990) |
| Literature Reference DOI | 10.1021/ja00164a036 |
| Molecular Weight | 957.035 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU6595 |