| SpectraBase Compound ID | KcwEH6GGNo1 |
|---|---|
| InChI | InChI=1S/C88H78F18O24/c1-8-61-62-47-60(46-57(107)45-59(125-73(111)79(117-4,85(95,96)97)53-31-19-11-20-32-53)44-41-50-39-42-58(43-40-50)124-72(110)78(116-3,84(92,93)94)52-29-17-10-18-30-52)123-68(108)63(62)48-121-69(61)130-70-67(129-76(114)82(120-7,88(104,105)106)56-37-25-14-26-38-56)66(128-75(113)81(119-6,87(101,102)103)55-35-23-13-24-36-55)65(127-74(112)80(118-5,86(98,99)100)54-33-21-12-22-34-54)64(126-70)49-122-71(109)77(115-2,83(89,90)91)51-27-15-9-16-28-51/h8-40,42-43,48,59-62,64-67,69-70H,1,41,44-47,49H2,2-7H3/t59-,60+,61-,62+,64+,65+,66-,67+,69+,70-,77?,78?,79?,80?,81?,82?/m0/s1 |
| InChIKey | FGGIFVXISYWKKP-BPWAOENYSA-N |
| Mol Weight | 1861.5 g/mol |
| Molecular Formula | C88H78F18O24 |
| Exact Mass | 1860.45956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6d6jPsSVnk2 |
|---|---|
| Name | FGGIFVXISYWKKP-BPWAOENYSA-N |
| Compound Number | 1C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C88H78F18O24 |
| InChI | InChI=1S/C88H78F18O24/c1-8-61-62-47-60(46-57(107)45-59(125-73(111)79(117-4,85(95,96)97)53-31-19-11-20-32-53)44-41-50-39-42-58(43-40-50)124-72(110)78(116-3,84(92,93)94)52-29-17-10-18-30-52)123-68(108)63(62)48-121-69(61)130-70-67(129-76(114)82(120-7,88(104,105)106)56-37-25-14-26-38-56)66(128-75(113)81(119-6,87(101,102)103)55-35-23-13-24-36-55)65(127-74(112)80(118-5,86(98,99)100)54-33-21-12-22-34-54)64(126-70)49-122-71(109)77(115-2,83(89,90)91)51-27-15-9-16-28-51/h8-40,42-43,48,59-62,64-67,69-70H,1,41,44-47,49H2,2-7H3/t59-,60+,61-,62+,64+,65+,66-,67+,69+,70-,77?,78?,79?,80?,81?,82?/m0/s1 |
| InChIKey | FGGIFVXISYWKKP-BPWAOENYSA-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 | 1861.544 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU8464 |