| SpectraBase Compound ID | 1eUrt9f9Bwz |
|---|---|
| InChI | InChI=1S/C82H77F15O23/c1-9-58-59(37-25-36-54(98)44-57(45-55(99)41-38-48-39-42-56(106-2)43-40-48)115-69(102)74(109-5,79(86,87)88)50-28-17-11-18-29-50)60(65(100)107-3)46-113-66(58)120-67-64(119-72(105)77(112-8,82(95,96)97)53-34-23-14-24-35-53)63(118-71(104)76(111-7,81(92,93)94)52-32-21-13-22-33-52)62(117-70(103)75(110-6,80(89,90)91)51-30-19-12-20-31-51)61(116-67)47-114-68(101)73(108-4,78(83,84)85)49-26-15-10-16-27-49/h9-35,37,39-40,42-43,46,57-59,61-64,66-67H,1,36,38,41,44-45,47H2,2-8H3/b37-25+/t57-,58-,59+,61+,62+,63-,64+,66+,67-,73?,74?,75?,76?,77?/m0/s1 |
| InChIKey | UWVCZJCAVIDUBQ-WPVQHZLZSA-N |
| Mol Weight | 1715.5 g/mol |
| Molecular Formula | C82H77F15O23 |
| Exact Mass | 1714.461611 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EYKi3qIHqdp |
|---|---|
| Name | UWVCZJCAVIDUBQ-WPVQHZLZSA-N |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C82H77F15O23 |
| InChI | InChI=1S/C82H77F15O23/c1-9-58-59(37-25-36-54(98)44-57(45-55(99)41-38-48-39-42-56(106-2)43-40-48)115-69(102)74(109-5,79(86,87)88)50-28-17-11-18-29-50)60(65(100)107-3)46-113-66(58)120-67-64(119-72(105)77(112-8,82(95,96)97)53-34-23-14-24-35-53)63(118-71(104)76(111-7,81(92,93)94)52-32-21-13-22-33-52)62(117-70(103)75(110-6,80(89,90)91)51-30-19-12-20-31-51)61(116-67)47-114-68(101)73(108-4,78(83,84)85)49-26-15-10-16-27-49/h9-35,37,39-40,42-43,46,57-59,61-64,66-67H,1,36,38,41,44-45,47H2,2-8H3/b37-25+/t57-,58-,59+,61+,62+,63-,64+,66+,67-,73?,74?,75?,76?,77?/m0/s1 |
| InChIKey | UWVCZJCAVIDUBQ-WPVQHZLZSA-N |
| Literature Reference Author | H.MATSUDA,H.SHIMODA,T.UEMURA,T.UEDA,J.YAMAHARA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1753(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1753 |
| Molecular Weight | 1715.476 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU8473 |