| SpectraBase Compound ID | 1tUvwD1xbAL |
|---|---|
| InChI | InChI=1S/C22H30N2O7S/c1-19(2)30-13-20(3,31-19)16(25)22-18(27)23-21(28,17(26)24-22)15(9-10-29-22)12-32-11-14-7-5-4-6-8-14/h4-8,15-16,25,28H,9-13H2,1-3H3,(H,23,27)(H,24,26)/t15-,16?,20?,21+,22+/m0/s1 |
| InChIKey | WDEYUIQWMJHSTM-NGBTZGMWSA-N |
| Mol Weight | 466.55 g/mol |
| Molecular Formula | C22H30N2O7S |
| Exact Mass | 466.177372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5pBefcKOt2 |
|---|---|
| Name | 5A-BENZYLSULFANYL-DIHYDROBICYCLOMYCIN-2',3'-ACETONIDE;MAJOR-DIASTEREOMER |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30N2O7S |
| InChI | InChI=1S/C22H30N2O7S/c1-19(2)30-13-20(3,31-19)16(25)22-18(27)23-21(28,17(26)24-22)15(9-10-29-22)12-32-11-14-7-5-4-6-8-14/h4-8,15-16,25,28H,9-13H2,1-3H3,(H,23,27)(H,24,26)/t15-,16?,20?,21+,22+/m0/s1 |
| InChIKey | WDEYUIQWMJHSTM-NGBTZGMWSA-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 | 466.549 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25354 |