| SpectraBase Compound ID | 879CrnIOBQ6 |
|---|---|
| InChI | InChI=1S/C31H49NO17.C2HF3O2/c1-13(2)8-15(32)28(42)47-27-24(41)26(48-30-22(39)20(37)19(36)16(9-33)44-30)18(11-35)46-31(27)49-25-17(10-34)45-29(23(40)21(25)38)43-12-14-6-4-3-5-7-14;3-2(4,5)1(6)7/h3-7,13,15-27,29-31,33-41H,8-12,32H2,1-2H3;(H,6,7)/t15?,16-,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+,29+,30-,31+;/m0./s1 |
| InChIKey | OPXGVSZNPQSFGH-IGHZBLJNSA-N |
| Mol Weight | 821.7 g/mol |
| Molecular Formula | C33H50F3NO19 |
| Exact Mass | 821.292913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | En4dtEBoVc8 |
|---|---|
| Compound Number | 18 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C31H49NO17.C2HF3O2/c1-13(2)8-15(32)28(42)47-27-24(41)26(48-30-22(39)20(37)19(36)16(9-33)44-30)18(11-35)46-31(27)49-25-17(10-34)45-29(23(40)21(25)38)43-12-14-6-4-3-5-7-14;3-2(4,5)1(6)7/h3-7,13,15-27,29-31,33-41H,8-12,32H2,1-2H3;(H,6,7)/t15?,16-,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+,29+,30-,31+;/m0./s1 |
| InChIKey | OPXGVSZNPQSFGH-IGHZBLJNSA-N |
| Literature Reference | V.FERRO,M.MELDAL,K.BOCK J.CHEM.SOC.PERKIN-1,2169(1994) |
| Solvent | Deuterium oxide |