SpectraBase Compound ID | KNJlBZY3Dun |
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InChI | InChI=1S/C33H44N2O20.C2HF3O2/c34-15-4-2-1-3-14(15)30(46)53-29-26(45)28(54-32-24(43)22(41)21(40)18(10-36)50-32)20(12-38)52-33(29)55-27-19(11-37)51-31(25(44)23(27)42)49-8-7-13-5-6-17(39)16(9-13)35(47)48;3-2(4,5)1(6)7/h1-6,9,18-29,31-33,36-45H,7-8,10-12,34H2;(H,6,7)/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27+,28+,29+,31+,32-,33+;/m0./s1 |
InChIKey | FITNJRGCVYDAOU-BJTGHPFPSA-N |
Mol Weight | 902.7 g/mol |
Molecular Formula | C35H45F3N2O22 |
Exact Mass | 902.241606 g/mol |
SpectraBase Spectrum ID | 48vEr4ygrWq |
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Compound Number | 26 |
Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
InChI | InChI=1S/C33H44N2O20.C2HF3O2/c34-15-4-2-1-3-14(15)30(46)53-29-26(45)28(54-32-24(43)22(41)21(40)18(10-36)50-32)20(12-38)52-33(29)55-27-19(11-37)51-31(25(44)23(27)42)49-8-7-13-5-6-17(39)16(9-13)35(47)48;3-2(4,5)1(6)7/h1-6,9,18-29,31-33,36-45H,7-8,10-12,34H2;(H,6,7)/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27+,28+,29+,31+,32-,33+;/m0./s1 |
InChIKey | FITNJRGCVYDAOU-BJTGHPFPSA-N |
Literature Reference | V.FERRO,M.MELDAL,K.BOCK J.CHEM.SOC.PERKIN-1,2169(1994) |
Solvent | Deuterium oxide |