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CHOLESTANYL 2-HYDRO-3-OXOPERFLUOROOCTANOATE, HYDRATE
SpectraBase Compound ID LKzEWpCF0pQ
InChI InChI=1S/C35H50F12O4/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-28(20,4)25(22)14-16-29(23,24)5)51-27(48)26(36)30(49,50)31(37,38)32(39,40)33(41,42)34(43,44)35(45,46)47/h18-26,49-50H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25?,26?,28-,29+/m1/s1
InChIKey XBKVGYTVIXDCOS-BGXMBWOSSA-N
Mol Weight 762.8 g/mol
Molecular Formula C35H50F12O4
Exact Mass 762.351748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JxEXsPykAg
Name CHOLESTANYL 2-HYDRO-3-OXOPERFLUOROOCTANOATE, HYDRATE
Comments 0.
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Formula C35H50F12O4
InChI InChI=1S/C35H50F12O4/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-28(20,4)25(22)14-16-29(23,24)5)51-27(48)26(36)30(49,50)31(37,38)32(39,40)33(41,42)34(43,44)35(45,46)47/h18-26,49-50H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25?,26?,28-,29+/m1/s1
InChIKey XBKVGYTVIXDCOS-BGXMBWOSSA-N
Instrument Name SEE COMMENT
Literature Reference M.IZNADEN, C.PORTELLA (1989) J.Fluor.Chem.: v.43, N1, 105-118.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d