| SpectraBase Compound ID | EinPVOkn3En |
|---|---|
| InChI | InChI=1S/C87H66F5NO22/c88-65-66(89)68(91)72(69(92)67(65)90)111-84(101)62-44-56(45-93(62)87(102)105-46-61-59-42-24-22-40-57(59)58-41-23-25-43-60(58)61)106-86-76(115-83(100)55-38-20-7-21-39-55)74(113-81(98)53-34-16-5-17-35-53)71(110-79(96)51-30-12-3-13-31-51)64(108-86)48-104-85-75(114-82(99)54-36-18-6-19-37-54)73(112-80(97)52-32-14-4-15-33-52)70(109-78(95)50-28-10-2-11-29-50)63(107-85)47-103-77(94)49-26-8-1-9-27-49/h1-43,56,61-64,70-71,73-76,85-86H,44-48H2/t56-,62+,63+,64-,70+,71-,73-,74+,75-,76+,85-,86+/m0/s1 |
| InChIKey | FCSGDTPQSTYYBL-KMZTYGNBSA-N |
| Mol Weight | 1572.5 g/mol |
| Molecular Formula | C87H66F5NO22 |
| Exact Mass | 1571.399664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9cj5tBXZ8K |
|---|---|
| Name | MAJOR-ISOMER |
| Compound Number | 36 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C87H66F5NO22/c88-65-66(89)68(91)72(69(92)67(65)90)111-84(101)62-44-56(45-93(62)87(102)105-46-61-59-42-24-22-40-57(59)58-41-23-25-43-60(58)61)106-86-76(115-83(100)55-38-20-7-21-39-55)74(113-81(98)53-34-16-5-17-35-53)71(110-79(96)51-30-12-3-13-31-51)64(108-86)48-104-85-75(114-82(99)54-36-18-6-19-37-54)73(112-80(97)52-32-14-4-15-33-52)70(109-78(95)50-28-10-2-11-29-50)63(107-85)47-103-77(94)49-26-8-1-9-27-49/h1-43,56,61-64,70-71,73-76,85-86H,44-48H2/t56-,62+,63+,64-,70+,71-,73-,74+,75-,76+,85-,86+/m0/s1 |
| InChIKey | FCSGDTPQSTYYBL-KMZTYGNBSA-N |
| Literature Reference | H.FRANZYK,M.MELDAL,H.PAULSEN,K.BOCK J.CHEM.SOC.PERKIN-1,2883(1995) |
| Solvent | Chloroform-d |