| SpectraBase Compound ID | 49y8w14SUH3 |
|---|---|
| InChI | InChI=1S/C25H31N3O7S/c1-22(2)34-14-23(3,35-22)19(29)25-21(31)27-24(32,20(30)28-25)17(8-10-33-25)13-36-12-15-6-7-18-16(11-15)5-4-9-26-18/h4-7,9,11,17,19,29,32H,8,10,12-14H2,1-3H3,(H,27,31)(H,28,30)/t17?,19?,23?,24-,25-/m1/s1 |
| InChIKey | JUKYDECHXFKQFU-GWCXPSHOSA-N |
| Mol Weight | 517.6 g/mol |
| Molecular Formula | C25H31N3O7S |
| Exact Mass | 517.188272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52XNICq7i18 |
|---|---|
| Name | 5A-(QUINOLIN-6-YL-METHYL-SULFANYL)-DIHYDROBICYCLOMYCIN-2',3'-ACETONIDE;MAJOR-DIASTEREOMER |
| Compound Number | 28 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H31N3O7S |
| InChI | InChI=1S/C25H31N3O7S/c1-22(2)34-14-23(3,35-22)19(29)25-21(31)27-24(32,20(30)28-25)17(8-10-33-25)13-36-12-15-6-7-18-16(11-15)5-4-9-26-18/h4-7,9,11,17,19,29,32H,8,10,12-14H2,1-3H3,(H,27,31)(H,28,30)/t17?,19?,23?,24-,25-/m1/s1 |
| InChIKey | JUKYDECHXFKQFU-GWCXPSHOSA-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 | 517.597 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25358 |