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CHOLESTANYL 2,4,4,4-TRIFLUORO-3,3-DIHYDROXYBUTANOATE

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CHOLESTANYL 2,4,4,4-TRIFLUORO-3,3-DIHYDROXYBUTANOATE
SpectraBase Compound ID 47oYI2uNXvA
InChI InChI=1S/C31H50F4O4/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(39-27(36)26(32)30(37,38)31(33,34)35)13-15-28(20,4)25(22)14-16-29(23,24)5/h18-26,37-38H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25?,26?,28-,29+/m1/s1
InChIKey NBHQIDPQVXBZIY-BGXMBWOSSA-N
Mol Weight 562.7 g/mol
Molecular Formula C31H50F4O4
Exact Mass 562.364523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYG6eHrOE4q
Name CHOLESTANYL 2,4,4,4-TRIFLUORO-3,3-DIHYDROXYBUTANOATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H50F4O4
InChI InChI=1S/C31H50F4O4/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(39-27(36)26(32)30(37,38)31(33,34)35)13-15-28(20,4)25(22)14-16-29(23,24)5/h18-26,37-38H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25?,26?,28-,29+/m1/s1
InChIKey NBHQIDPQVXBZIY-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