| SpectraBase Compound ID | 7blNbC0Noqr |
|---|---|
| InChI | InChI=1S/C26H28N2O7S/c1-24(33,14-29)21(30)26-23(32)27-25(34,22(31)28-26)19(8-9-35-26)13-36-20-7-6-17-10-15-4-2-3-5-16(15)11-18(17)12-20/h2-7,10-12,19,21,29-30,33-34H,8-9,13-14H2,1H3,(H,27,32)(H,28,31)/t19-,21?,24?,25-,26-/m1/s1 |
| InChIKey | HLKSJUSFYXMQNB-DZQCBNEQSA-N |
| Mol Weight | 512.58 g/mol |
| Molecular Formula | C26H28N2O7S |
| Exact Mass | 512.161722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4kC3WO7h76b |
|---|---|
| Name | 5A-(ANTHRACEN-2-YL-SULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H28N2O7S |
| InChI | InChI=1S/C26H28N2O7S/c1-24(33,14-29)21(30)26-23(32)27-25(34,22(31)28-26)19(8-9-35-26)13-36-20-7-6-17-10-15-4-2-3-5-16(15)11-18(17)12-20/h2-7,10-12,19,21,29-30,33-34H,8-9,13-14H2,1H3,(H,27,32)(H,28,31)/t19-,21?,24?,25-,26-/m1/s1 |
| InChIKey | HLKSJUSFYXMQNB-DZQCBNEQSA-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 | 512.578 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25384 |