| SpectraBase Compound ID | 1VYVbBBceOq |
|---|---|
| InChI | InChI=1S/C22H32N6O12S2/c29-15(30)5-25-19(35)13(27-17(33)9-1-11(21(37)38)23-3-9)7-41-42-8-14(20(36)26-6-16(31)32)28-18(34)10-2-12(22(39)40)24-4-10/h9-14,23-24H,1-8H2,(H,25,35)(H,26,36)(H,27,33)(H,28,34)(H,29,30)(H,31,32)(H,37,38)(H,39,40)/t9-,10-,11-,12-,13+,14+/m1/s1 |
| InChIKey | FHURDLOXEGGTIB-KJKVDNPUSA-N |
| Mol Weight | 636.6 g/mol |
| Molecular Formula | C22H32N6O12S2 |
| Exact Mass | 636.151963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9aLrVBPN3Tz |
|---|---|
| Name | FHURDLOXEGGTIB-KJKVDNPUSA-N |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32N6O12S2 |
| InChI | InChI=1S/C22H32N6O12S2/c29-15(30)5-25-19(35)13(27-17(33)9-1-11(21(37)38)23-3-9)7-41-42-8-14(20(36)26-6-16(31)32)28-18(34)10-2-12(22(39)40)24-4-10/h9-14,23-24H,1-8H2,(H,25,35)(H,26,36)(H,27,33)(H,28,34)(H,29,30)(H,31,32)(H,37,38)(H,39,40)/t9-,10-,11-,12-,13+,14+/m1/s1 |
| InChIKey | FHURDLOXEGGTIB-KJKVDNPUSA-N |
| Literature Reference Author | M.P.PARADISI,A.MOLLICA,I.CACCIATORE,A.D.STEFANO,F.PINNEN,A.M .CACCURI,G.RICCI,S.D |
| Literature Reference Citation | BIOORG.MED.CHEM.,11,1677(2003) |
| Literature Reference DOI | 10.1016/S0968-0896(03)00041-5 |
| Molecular Weight | 636.649 g/mol |
| Sample ID | 29247 |
| Solvent | D2O |