| SpectraBase Compound ID | BVJP7B09Ecl |
|---|---|
| InChI | InChI=1S/C28H34N4O7S/c1-25(2)38-15-26(3,39-25)22(33)28-24(35)31-27(36,23(34)32-28)17(10-11-37-28)14-40-13-16-8-9-20-21(12-16)30-19-7-5-4-6-18(19)29-20/h4-9,12,17,22,29-30,33,36H,10-11,13-15H2,1-3H3,(H,31,35)(H,32,34)/t17-,22?,26?,27+,28+/m0/s1 |
| InChIKey | ANDMIARKNQXERI-QHGJSEODSA-N |
| Mol Weight | 570.7 g/mol |
| Molecular Formula | C28H34N4O7S |
| Exact Mass | 570.214821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Arrfrej0kY |
|---|---|
| Name | 5A-(PHENAZIN-2-YL-METHYL-SULFANYL)-DIHYDROBICYCLOMYCIN-2',3'-ACETONIDE;MAJOR-DIASTEREOMER |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H34N4O7S |
| InChI | InChI=1S/C28H34N4O7S/c1-25(2)38-15-26(3,39-25)22(33)28-24(35)31-27(36,23(34)32-28)17(10-11-37-28)14-40-13-16-8-9-20-21(12-16)30-19-7-5-4-6-18(19)29-20/h4-9,12,17,22,29-30,33,36H,10-11,13-15H2,1-3H3,(H,31,35)(H,32,34)/t17-,22?,26?,27+,28+/m0/s1 |
| InChIKey | ANDMIARKNQXERI-QHGJSEODSA-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 | 570.661 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25360 |