| SpectraBase Compound ID | CzBJ8u6olfQ |
|---|---|
| InChI | InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20-,25-,29-,30-,33+,37-/m0/s1 |
| InChIKey | BTVYFIMKUHNOBZ-CAEMKTTRSA-N |
| Mol Weight | 695.8 g/mol |
| Molecular Formula | C37H45NO12 |
| Exact Mass | 695.294176 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDxjCw22qvg |
|---|---|
| Name | RIFAMYCIN-S |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H45NO12 |
| InChI | InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20-,25-,29-,30-,33+,37-/m0/s1 |
| InChIKey | BTVYFIMKUHNOBZ-CAEMKTTRSA-N |
| Literature Reference Author | E.RUBIO,I.MERINO,A.B.GARCIA,M.P.CABAL,C.RIBAS,M.BAYOD-JASANA DA |
| Literature Reference Citation | MAGN.RES.CHEM.,43,269(2005) |
| Literature Reference DOI | 10.1002/mrc.1545 |
| Molecular Weight | 695.764 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWSI27001 |