| SpectraBase Compound ID | 3X3rPxmVB25 |
|---|---|
| InChI | InChI=1S/C25H36N2O7S/c1-21(2,3)15-7-9-17(10-8-15)35-13-16-11-12-32-25(20(30)26-24(16,31)19(29)27-25)18(28)23(6)14-33-22(4,5)34-23/h7-10,16,18,28,31H,11-14H2,1-6H3,(H,26,30)(H,27,29)/t16-,18?,23?,24-,25-/m1/s1 |
| InChIKey | ZTPVZAWUDOWDTO-YNKVGOFYSA-N |
| Mol Weight | 508.6 g/mol |
| Molecular Formula | C25H36N2O7S |
| Exact Mass | 508.224323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BzUtor6CVnQ |
|---|---|
| Name | 5A-(4-TERT.-BUTYLPHENYL-SULFANYL)-DIHYDROBICYCLOMYCIN-2',3'-ACETONIDE;MINOR-DIASTEREOMER |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36N2O7S |
| InChI | InChI=1S/C25H36N2O7S/c1-21(2,3)15-7-9-17(10-8-15)35-13-16-11-12-32-25(20(30)26-24(16,31)19(29)27-25)18(28)23(6)14-33-22(4,5)34-23/h7-10,16,18,28,31H,11-14H2,1-6H3,(H,26,30)(H,27,29)/t16-,18?,23?,24-,25-/m1/s1 |
| InChIKey | ZTPVZAWUDOWDTO-YNKVGOFYSA-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 | 508.630 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25349 |