| SpectraBase Compound ID | H3hKn48j8jL |
|---|---|
| InChI | InChI=1S/C55H52F5NO22/c1-24(62)71-22-37-45(76-27(4)65)48(83-54-50(78-29(6)67)47(77-28(5)66)44(75-26(3)64)38(80-54)23-72-25(2)63)49(82-51(68)30-14-8-7-9-15-30)53(79-37)73-21-36(52(69)81-46-42(59)40(57)39(56)41(58)43(46)60)61-55(70)74-20-35-33-18-12-10-16-31(33)32-17-11-13-19-34(32)35/h7-19,35-38,44-45,47-50,53-54H,20-23H2,1-6H3,(H,61,70)/t36-,37-,38+,44+,45-,47-,48+,49+,50-,53+,54+/m0/s1 |
| InChIKey | TYLXIADXTUTJIP-IHAQJKDMSA-N |
| Mol Weight | 1174.0 g/mol |
| Molecular Formula | C55H52F5NO22 |
| Exact Mass | 1173.290113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QNK44wUBzs |
|---|---|
| Compound Number | 26 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C55H52F5NO22/c1-24(62)71-22-37-45(76-27(4)65)48(83-54-50(78-29(6)67)47(77-28(5)66)44(75-26(3)64)38(80-54)23-72-25(2)63)49(82-51(68)30-14-8-7-9-15-30)53(79-37)73-21-36(52(69)81-46-42(59)40(57)39(56)41(58)43(46)60)61-55(70)74-20-35-33-18-12-10-16-31(33)32-17-11-13-19-34(32)35/h7-19,35-38,44-45,47-50,53-54H,20-23H2,1-6H3,(H,61,70)/t36-,37-,38+,44+,45-,47-,48+,49+,50-,53+,54+/m0/s1 |
| InChIKey | TYLXIADXTUTJIP-IHAQJKDMSA-N |
| Literature Reference | H.FRANZYK,M.MELDAL,H.PAULSEN,K.BOCK J.CHEM.SOC.PERKIN-1,2883(1995) |
| Solvent | Chloroform-d |