SpectraBase Compound ID | AMbz3YzgEC4 |
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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 |
SpectraBase Spectrum ID | Ho5RZIR9118 |
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Name | 5A-(4-METHYLCOUMARIN-7-YL-SULFANYL)-DIHYDROBICYCLOMYCIN;MINOR-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 | UWVN25383 |