| SpectraBase Compound ID | 5E4iI0PkIFO |
|---|---|
| InChI | InChI=1S/C84H94B3N13O17/c1-80(2,3)114-79(107)91-84-52-81(37-31-70(101)88-64(76(104)111-46-55-19-7-4-8-20-55)34-40-98-43-67(92-95-98)73-58-25-13-16-28-61(58)85(108)115-73)49-82(53-84,38-32-71(102)89-65(77(105)112-47-56-21-9-5-10-22-56)35-41-99-44-68(93-96-99)74-59-26-14-17-29-62(59)86(109)116-74)51-83(50-81,54-84)39-33-72(103)90-66(78(106)113-48-57-23-11-6-12-24-57)36-42-100-45-69(94-97-100)75-60-27-15-18-30-63(60)87(110)117-75/h4-30,43-45,64-66,73-75,108-110H,31-42,46-54H2,1-3H3,(H,88,101)(H,89,102)(H,90,103)(H,91,107)/t64-,65-,66+,73?,74?,75?,81-,82+,83-,84-/m0/s1 |
| InChIKey | QFYDAURMGJQGEU-PQYLDJDQSA-N |
| Mol Weight | 1590.2 g/mol |
| Molecular Formula | C84H94B3N13O17 |
| Exact Mass | 1589.716979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 31A3tlHKGh4 |
|---|---|
| Name | QFYDAURMGJQGEU-PQYLDJDQSA-N |
| Compound Number | 18C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H94B3N13O17 |
| InChI | InChI=1S/C84H94B3N13O17/c1-80(2,3)114-79(107)91-84-52-81(37-31-70(101)88-64(76(104)111-46-55-19-7-4-8-20-55)34-40-98-43-67(92-95-98)73-58-25-13-16-28-61(58)85(108)115-73)49-82(53-84,38-32-71(102)89-65(77(105)112-47-56-21-9-5-10-22-56)35-41-99-44-68(93-96-99)74-59-26-14-17-29-62(59)86(109)116-74)51-83(50-81,54-84)39-33-72(103)90-66(78(106)113-48-57-23-11-6-12-24-57)36-42-100-45-69(94-97-100)75-60-27-15-18-30-63(60)87(110)117-75/h4-30,43-45,64-66,73-75,108-110H,31-42,46-54H2,1-3H3,(H,88,101)(H,89,102)(H,90,103)(H,91,107)/t64-,65-,66+,73?,74?,75?,81-,82+,83-,84-/m0/s1 |
| InChIKey | QFYDAURMGJQGEU-PQYLDJDQSA-N |
| Literature Reference Author | D.CLAES,M.HOLZAPFEL,N.CLAUSEN,W.MAISON |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,6361(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300769 |
| Molecular Weight | 1590.177 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT20179 |