| SpectraBase Compound ID | KUXCIQRM9kt |
|---|---|
| InChI | InChI=1S/C25H44N14O8/c26-5-2-1-3-11(27)18(41)33-8-14-20(43)35-15(9-34-25(30)47)21(44)39-17(13-4-6-31-24(29)38-13)23(46)32-7-12(28)19(42)37-16(10-40)22(45)36-14/h9,11-14,16-17,40H,1-8,10,26-28H2,(H,32,46)(H,33,41)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47)/b15-9-/t11?,12-,13?,14-,16-,17-/m0/s1 |
| InChIKey | XBTQDZIOJLBBBW-CMPTZPPNSA-N |
| Mol Weight | 668.7 g/mol |
| Molecular Formula | C25H44N14O8 |
| Exact Mass | 668.346654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8arMq7JTA3U |
|---|---|
| Name | LABELLED;DL-SERINE;DL-ALANINE;CAPREOMYCIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H44N14O8 |
| InChI | InChI=1S/C25H44N14O8/c26-5-2-1-3-11(27)18(41)33-8-14-20(43)35-15(9-34-25(30)47)21(44)39-17(13-4-6-31-24(29)38-13)23(46)32-7-12(28)19(42)37-16(10-40)22(45)36-14/h9,11-14,16-17,40H,1-8,10,26-28H2,(H,32,46)(H,33,41)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47)/b15-9-/t11?,12-,13?,14-,16-,17-/m0/s1 |
| InChIKey | XBTQDZIOJLBBBW-CMPTZPPNSA-N |
| Literature Reference Author | M.WANG,S.J.GOULD |
| Literature Reference Citation | J.ORG.CHEM.,58,5176(1993) |
| Literature Reference DOI | 10.1021/jo00071a029 |
| Molecular Weight | 668.713 g/mol |
| Solvent | D2O |
| Source File Reference | UWGE5174 |