| SpectraBase Compound ID | HhxPyQjP943 |
|---|---|
| InChI | InChI=1S/C19H26N2O7S/c1-17(26,11-22)14(23)19-16(25)20-18(27,15(24)21-19)13(7-8-28-19)10-29-9-12-5-3-2-4-6-12/h2-6,13-14,22-23,26-27H,7-11H2,1H3,(H,20,25)(H,21,24)/t13-,14?,17?,18+,19+/m0/s1 |
| InChIKey | VLEHETBKTVUGIZ-HJMIABCVSA-N |
| Mol Weight | 426.48 g/mol |
| Molecular Formula | C19H26N2O7S |
| Exact Mass | 426.146072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HIPdGxm9TkH |
|---|---|
| Name | 5A-BENZYLSULFANYL-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H26N2O7S |
| InChI | InChI=1S/C19H26N2O7S/c1-17(26,11-22)14(23)19-16(25)20-18(27,15(24)21-19)13(7-8-28-19)10-29-9-12-5-3-2-4-6-12/h2-6,13-14,22-23,26-27H,7-11H2,1H3,(H,20,25)(H,21,24)/t13-,14?,17?,18+,19+/m0/s1 |
| InChIKey | VLEHETBKTVUGIZ-HJMIABCVSA-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 | 426.485 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25370 |