| SpectraBase Compound ID | 39KM30X6bHy |
|---|---|
| InChI | InChI=1S/C37H47N3O11/c1-15-11-10-12-16(2)36(47)40-28-27(39)26(38)23-24(32(28)45)31(44)20(6)34-25(23)35(46)37(8,51-34)49-14-13-22(48-9)17(3)33(50-21(7)41)19(5)30(43)18(4)29(15)42/h10-15,17-19,22,29-30,33,38,42-44H,39H2,1-9H3,(H,40,47)/b11-10+,14-13+,16-12-,38-26?/t15-,17+,18+,19-,22-,29-,30-,33+,37-/m0/s1 |
| InChIKey | QIHXROBNYFPZNR-LBEXKMCVSA-N |
| Mol Weight | 709.8 g/mol |
| Molecular Formula | C37H47N3O11 |
| Exact Mass | 709.321059 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5fi4C1VQQo |
|---|---|
| Name | 3-AMINO-4-DEOXO-4-IMINORIFAMYCIN-S |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H47N3O11 |
| InChI | InChI=1S/C37H47N3O11/c1-15-11-10-12-16(2)36(47)40-28-27(39)26(38)23-24(32(28)45)31(44)20(6)34-25(23)35(46)37(8,51-34)49-14-13-22(48-9)17(3)33(50-21(7)41)19(5)30(43)18(4)29(15)42/h10-15,17-19,22,29-30,33,38,42-44H,39H2,1-9H3,(H,40,47)/b11-10+,14-13+,16-12-,38-26?/t15-,17+,18+,19-,22-,29-,30-,33+,37-/m0/s1 |
| InChIKey | QIHXROBNYFPZNR-LBEXKMCVSA-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 | 709.794 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWSI27002 |