| SpectraBase Compound ID | 9PoG6HZ4caN |
|---|---|
| InChI | InChI=1S/C26H32N2O7S/c1-23(2)34-15-24(3,35-23)20(29)26-22(31)27-25(32,21(30)28-26)19(10-11-33-26)14-36-13-16-8-9-17-6-4-5-7-18(17)12-16/h4-9,12,19-20,29,32H,10-11,13-15H2,1-3H3,(H,27,31)(H,28,30)/t19-,20?,24?,25+,26+/m0/s1 |
| InChIKey | VHTLTDWUSFDNMR-ALDDWWQNSA-N |
| Mol Weight | 516.6 g/mol |
| Molecular Formula | C26H32N2O7S |
| Exact Mass | 516.193023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dmy7MES6rLj |
|---|---|
| Name | 5A-(NAPHTH-2-YL-SULFANYL)-DIHYDROBICYCLOMYCIN-2',3'-ACETONIDE;MINOR-DIASTEREOMER |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H32N2O7S |
| InChI | InChI=1S/C26H32N2O7S/c1-23(2)34-15-24(3,35-23)20(29)26-22(31)27-25(32,21(30)28-26)19(10-11-33-26)14-36-13-16-8-9-17-6-4-5-7-18(17)12-16/h4-9,12,19-20,29,32H,10-11,13-15H2,1-3H3,(H,27,31)(H,28,30)/t19-,20?,24?,25+,26+/m0/s1 |
| InChIKey | VHTLTDWUSFDNMR-ALDDWWQNSA-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 | 516.609 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25357 |