| SpectraBase Compound ID | KOfy8e4Q54F |
|---|---|
| InChI | InChI=1S/C13H20N2O9S/c1-7-4-5-23-13(10(18)14-12(7,20)9(17)15-13)8(16)11(2,19)6-24-25(3,21)22/h8,16,19-20H,1,4-6H2,2-3H3,(H,14,18)(H,15,17)/t8?,11?,12-,13-/m0/s1 |
| InChIKey | LJWQJXMBDYRKEB-NVBDIQBRSA-N |
| Mol Weight | 380.37 g/mol |
| Molecular Formula | C13H20N2O9S |
| Exact Mass | 380.088951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JvFDGc1nf3V |
|---|---|
| Name | BICYCLOMYCIN-3'-O-METHANESULFONATE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H20N2O9S |
| InChI | InChI=1S/C13H20N2O9S/c1-7-4-5-23-13(10(18)14-12(7,20)9(17)15-13)8(16)11(2,19)6-24-25(3,21)22/h8,16,19-20H,1,4-6H2,2-3H3,(H,14,18)(H,15,17)/t8?,11?,12-,13-/m0/s1 |
| InChIKey | LJWQJXMBDYRKEB-NVBDIQBRSA-N |
| Literature Reference Author | Z.ZHANG,H.KOHN |
| Literature Reference Citation | J.AM.CHEM.SOC.,116,9815(1994) |
| Literature Reference DOI | 10.1021/ja00101a001 |
| Molecular Weight | 380.370 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI763 |