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KZQBKJKYJSBUES-UHFFFAOYSA-N

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KZQBKJKYJSBUES-UHFFFAOYSA-N
SpectraBase Compound ID B8iKxaC6Bhw
InChI InChI=1S/C53H46O4.C5H.Co/c1-55-47-30-26-45(27-31-47)53(44-16-10-5-11-17-44,46-28-32-48(56-2)33-29-46)57-37-35-39-20-24-43(25-21-39)52-49(40-12-6-3-7-13-40)51(50(52)41-14-8-4-9-15-41)42-22-18-38(19-23-42)34-36-54;1-2-4-5-3-1;/h3-33,54H,34-37H2,1-2H3;1H;
InChIKey KZQBKJKYJSBUES-UHFFFAOYSA-N
Mol Weight 866.9 g/mol
Molecular Formula C58H47CoO4
Exact Mass 866.280629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEuAv0IHlR1
Name KZQBKJKYJSBUES-UHFFFAOYSA-N
Compound Number 7
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H47CoO4
InChI InChI=1S/C53H46O4.C5H.Co/c1-55-47-30-26-45(27-31-47)53(44-16-10-5-11-17-44,46-28-32-48(56-2)33-29-46)57-37-35-39-20-24-43(25-21-39)52-49(40-12-6-3-7-13-40)51(50(52)41-14-8-4-9-15-41)42-22-18-38(19-23-42)34-36-54;1-2-4-5-3-1;/h3-33,54H,34-37H2,1-2H3;1H;
InChIKey KZQBKJKYJSBUES-UHFFFAOYSA-N
Literature Reference Author S.M.WAYBRIGHT,C.P.SINGLETON,K.WACHTER,C.J.MURPHY,U.H.F.BUNZ
Literature Reference Citation J.AM.CHEM.SOC.,123,1828(2001)
Literature Reference DOI 10.1021/ja000950k
Molecular Weight 866.942 g/mol
Solvent CDCl3
Source File Reference UWLU30625