| SpectraBase Compound ID | 4Y1muKyObcQ |
|---|---|
| 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+/m1/s1 |
| InChIKey | LJWQJXMBDYRKEB-NZBQSGDWSA-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 | 50NRr0qhTUg |
|---|---|
| Name | BICYCLOMYCIN-3'-O-METHANESULFONATE |
| Compound Number | 4 |
| 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+/m1/s1 |
| InChIKey | LJWQJXMBDYRKEB-NZBQSGDWSA-N |
| Literature Reference Author | M.A.VELA,H.KOHN |
| Literature Reference Citation | J.ORG.CHEM.,57,5223(1992) |
| Literature Reference DOI | 10.1021/jo00045a041 |
| Molecular Weight | 380.370 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS2991 |