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RFJCLKDOHMSZJC-NJKPUSKFSA-N
SpectraBase Compound ID 83oh2ydjdtN
InChI InChI=1S/2C40H50O20/c2*1-20(41)50-17-31(58-28-13-11-10-12-27(28)47-7)34(26-14-15-29(53-21(2)42)30(16-26)48-8)51-18-33-35(55-23(4)44)38(57-25(6)46)40(59-33)60-36-32(54-22(3)43)19-52-39(49-9)37(36)56-24(5)45/h2*10-16,31-40H,17-19H2,1-9H3/t31-,32+,33-,34+,35-,36-,37+,38+,39+,40-;31-,32-,33+,34+,35+,36+,37-,38-,39-,40+/m01/s1
InChIKey RFJCLKDOHMSZJC-NJKPUSKFSA-N
Mol Weight 1701.6 g/mol
Molecular Formula C80H100O40
Exact Mass 1700.579088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bz1H2YkKoI7
Name RFJCLKDOHMSZJC-NJKPUSKFSA-N
Compound Number 11,E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C80H100O40
InChI InChI=1S/2C40H50O20/c2*1-20(41)50-17-31(58-28-13-11-10-12-27(28)47-7)34(26-14-15-29(53-21(2)42)30(16-26)48-8)51-18-33-35(55-23(4)44)38(57-25(6)46)40(59-33)60-36-32(54-22(3)43)19-52-39(49-9)37(36)56-24(5)45/h2*10-16,31-40H,17-19H2,1-9H3/t31-,32+,33-,34+,35-,36-,37+,38+,39+,40-;31-,32-,33+,34+,35+,36+,37-,38-,39-,40+/m01/s1
InChIKey RFJCLKDOHMSZJC-NJKPUSKFSA-N
Literature Reference Author M.TOIKKA,G.BRUNOW
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1877(1999)
Literature Reference DOI 10.1039/a900434c
Molecular Weight 1701.650 g/mol
Solvent ACETONE-D6
Source File Reference UWRU5633