| SpectraBase Compound ID | IYj9RQBElGe |
|---|---|
| InChI | InChI=1S/C14H22N2O11S2/c1-8-5-6-25-14(11(18)15-13(8,20)10(17)16-14)9(27-29(4,23)24)12(2,19)7-26-28(3,21)22/h9,19-20H,1,5-7H2,2-4H3,(H,15,18)(H,16,17)/t9-,12-,13+,14-/m0/s1 |
| InChIKey | OJDXUIIIXLLQCM-WTDIUWLJSA-N |
| Mol Weight | 458.45 g/mol |
| Molecular Formula | C14H22N2O11S2 |
| Exact Mass | 458.066502 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5M24XhICkuI |
|---|---|
| Name | BICYCLOMYCIN-1'-O,3'-O-DIMETHANESULFONATE |
| Compound Number | 2 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C14H22N2O11S2 |
| InChI | InChI=1S/C14H22N2O11S2/c1-8-5-6-25-14(11(18)15-13(8,20)10(17)16-14)9(27-29(4,23)24)12(2,19)7-26-28(3,21)22/h9,19-20H,1,5-7H2,2-4H3,(H,15,18)(H,16,17)/t9-,12-,13+,14-/m0/s1 |
| InChIKey | OJDXUIIIXLLQCM-WTDIUWLJSA-N |
| Literature Reference Author | H.G.PARK,M.A.VELA,H.KOHN |
| Literature Reference Citation | J.AM.CHEM.SOC.,116,471(1994) |
| Literature Reference DOI | 10.1021/ja00081a006 |
| Molecular Weight | 458.455 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU6939 |