| SpectraBase Compound ID | 9YdLgmVHnyY |
|---|---|
| InChI | InChI=1S/C27H28N2O9S/c1-25(36,13-30)22(33)27-24(35)28-26(37,23(34)29-27)15(8-9-38-27)12-39-11-14-6-7-18-19(10-14)21(32)17-5-3-2-4-16(17)20(18)31/h2-7,10,15,22,30,33,36-37H,8-9,11-13H2,1H3,(H,28,35)(H,29,34)/t15-,22?,25?,26+,27+/m0/s1 |
| InChIKey | JJYJQKCNVFXCGC-OXRHQPMSSA-N |
| Mol Weight | 556.59 g/mol |
| Molecular Formula | C27H28N2O9S |
| Exact Mass | 556.151552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IFMPGX2gMk6 |
|---|---|
| Name | 5A-(ANTHRAQUINON-2-YL-METHYLSULFANYL)-DIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H28N2O9S |
| InChI | InChI=1S/C27H28N2O9S/c1-25(36,13-30)22(33)27-24(35)28-26(37,23(34)29-27)15(8-9-38-27)12-39-11-14-6-7-18-19(10-14)21(32)17-5-3-2-4-16(17)20(18)31/h2-7,10,15,22,30,33,36-37H,8-9,11-13H2,1H3,(H,28,35)(H,29,34)/t15-,22?,25?,26+,27+/m0/s1 |
| InChIKey | JJYJQKCNVFXCGC-OXRHQPMSSA-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 | 556.587 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN25388 |