| SpectraBase Compound ID | HwU1Jqg5cL5 |
|---|---|
| InChI | InChI=1S/C18H24N2O7S/c1-16(25,10-21)13(22)18-15(24)19-17(26,14(23)20-18)11(7-8-27-18)9-28-12-5-3-2-4-6-12/h2-6,11,13,21-22,25-26H,7-10H2,1H3,(H,19,24)(H,20,23)/t11-,13?,16?,17+,18+/m0/s1 |
| InChIKey | WYVVLJPANXBCBH-MAIIPRFSSA-N |
| Mol Weight | 412.46 g/mol |
| Molecular Formula | C18H24N2O7S |
| Exact Mass | 412.130422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2j9NrKLw4uU |
|---|---|
| Name | 5A-PHENYLSULFANYL-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H24N2O7S |
| InChI | InChI=1S/C18H24N2O7S/c1-16(25,10-21)13(22)18-15(24)19-17(26,14(23)20-18)11(7-8-27-18)9-28-12-5-3-2-4-6-12/h2-6,11,13,21-22,25-26H,7-10H2,1H3,(H,19,24)(H,20,23)/t11-,13?,16?,17+,18+/m0/s1 |
| InChIKey | WYVVLJPANXBCBH-MAIIPRFSSA-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 | 412.458 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25395 |