| SpectraBase Compound ID | 8SHrWcdo9zw |
|---|---|
| InChI | InChI=1S/C22H35N5O6/c1-11(2)9-14(16-10-12-5-3-7-15(28)17(12)21(32)33-16)27-20(31)19(30)18(29)13(23)6-4-8-26-22(24)25/h3,5,7,11,13-14,16,18-19,28-30H,4,6,8-10,23H2,1-2H3,(H,27,31)(H4,24,25,26) |
| InChIKey | KJPBPENONKNTAB-UHFFFAOYSA-N |
| Mol Weight | 465.6 g/mol |
| Molecular Formula | C22H35N5O6 |
| Exact Mass | 465.258734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ftQIQQeYjA |
|---|---|
| Name | XENOCOUMACIN-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H35N5O6 |
| InChI | InChI=1S/C22H35N5O6/c1-11(2)9-14(16-10-12-5-3-7-15(28)17(12)21(32)33-16)27-20(31)19(30)18(29)13(23)6-4-8-26-22(24)25/h3,5,7,11,13-14,16,18-19,28-30H,4,6,8-10,23H2,1-2H3,(H,27,31)(H4,24,25,26) |
| InChIKey | KJPBPENONKNTAB-UHFFFAOYSA-N |
| Literature Reference Author | B.V.MCINERNEY,W.C.TAYLOR,M.J.LACEY,R.J.AKHURST,R.P.GREGSON |
| Literature Reference Citation | J.NAT.PROD.,54,785(1991) |
| Literature Reference DOI | 10.1021/np50075a006 |
| Molecular Weight | 465.550 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS5326 |