| SpectraBase Compound ID | 2ciTJkkIHZ |
|---|---|
| InChI | InChI=1S/C57H54F5NO22/c1-25(64)73-23-39-46(76-27(3)66)49(78-29(5)68)51(79-30(6)69)56(82-39)85-50-47(77-28(4)67)40(24-74-26(2)65)81-55(52(50)84-53(70)31-14-8-7-9-15-31)80-32-20-38(54(71)83-48-44(61)42(59)41(58)43(60)45(48)62)63(21-32)57(72)75-22-37-35-18-12-10-16-33(35)34-17-11-13-19-36(34)37/h7-19,32,37-40,46-47,49-52,55-56H,20-24H2,1-6H3/t32-,38+,39+,40-,46+,47-,49-,50+,51-,52+,55+,56+/m0/s1 |
| InChIKey | SPWZJXNFSKLODY-JXROMTJPSA-N |
| Mol Weight | 1200.0 g/mol |
| Molecular Formula | C57H54F5NO22 |
| Exact Mass | 1199.305763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dw8Wy8XSUps |
|---|---|
| Name | MINOR-ISOMER |
| Compound Number | 28 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C57H54F5NO22/c1-25(64)73-23-39-46(76-27(3)66)49(78-29(5)68)51(79-30(6)69)56(82-39)85-50-47(77-28(4)67)40(24-74-26(2)65)81-55(52(50)84-53(70)31-14-8-7-9-15-31)80-32-20-38(54(71)83-48-44(61)42(59)41(58)43(60)45(48)62)63(21-32)57(72)75-22-37-35-18-12-10-16-33(35)34-17-11-13-19-36(34)37/h7-19,32,37-40,46-47,49-52,55-56H,20-24H2,1-6H3/t32-,38+,39+,40-,46+,47-,49-,50+,51-,52+,55+,56+/m0/s1 |
| InChIKey | SPWZJXNFSKLODY-JXROMTJPSA-N |
| Literature Reference | H.FRANZYK,M.MELDAL,H.PAULSEN,K.BOCK J.CHEM.SOC.PERKIN-1,2883(1995) |
| Solvent | Chloroform-d |