| SpectraBase Compound ID | AMbz3YzgEC4 |
|---|---|
| InChI | InChI=1S/C22H26N2O9S/c1-11-7-16(26)33-15-8-13(3-4-14(11)15)34-9-12-5-6-32-22(17(27)20(2,30)10-25)19(29)23-21(12,31)18(28)24-22/h3-4,7-8,12,17,25,27,30-31H,5-6,9-10H2,1-2H3,(H,23,29)(H,24,28)/t12?,17?,20?,21-,22-/m1/s1 |
| InChIKey | ROWMGLQQJFXXMN-HXZDKBRSSA-N |
| Mol Weight | 494.52 g/mol |
| Molecular Formula | C22H26N2O9S |
| Exact Mass | 494.135902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bKiUq0vlCy |
|---|---|
| Name | 5A-(4-METHYLCOUMARIN-7-YL-SULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H26N2O9S |
| InChI | InChI=1S/C22H26N2O9S/c1-11-7-16(26)33-15-8-13(3-4-14(11)15)34-9-12-5-6-32-22(17(27)20(2,30)10-25)19(29)23-21(12,31)18(28)24-22/h3-4,7-8,12,17,25,27,30-31H,5-6,9-10H2,1-2H3,(H,23,29)(H,24,28)/t12?,17?,20?,21-,22-/m1/s1 |
| InChIKey | ROWMGLQQJFXXMN-HXZDKBRSSA-N |
| Literature Reference Author | A.P.BROGAN,W.R.WIDGER,H.KOHN |
| Literature Reference Citation | J.ORG.CHEM.,68,5575(2003) |
| Literature Reference DOI | 10.1021/jo030020u |
| Molecular Weight | 494.516 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25382 |