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(6R,19S)-SULFONYL-(5Z,7E,10Z)-19-FLUORO-9,10-SECO-5,7,10(19)-CHOLESTATRIENE-1,3,25-TRIOL

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(6R,19S)-SULFONYL-(5Z,7E,10Z)-19-FLUORO-9,10-SECO-5,7,10(19)-CHOLESTATRIENE-1,3,25-TRIOL
SpectraBase Compound ID LHVfABjxnG3
InChI InChI=1S/C27H43FO5S/c1-16(7-5-11-26(2,3)31)20-9-10-21-17(8-6-12-27(20,21)4)13-23-19-14-18(29)15-22(30)24(19)25(28)34(23,32)33/h13,16,18,20-23,25,29-31H,5-12,14-15H2,1-4H3/b17-13+/t16?,18-,20?,21?,22+,23+,25+,27?/m0/s1
InChIKey CQIPBEKVKCNUJU-ZYYQWZNWSA-N
Mol Weight 498.7 g/mol
Molecular Formula C27H43FO5S
Exact Mass 498.281524 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KRJNbUHMAJ9
Name (6R,19S)-SULFONYL-(5Z,7E,10Z)-19-FLUORO-9,10-SECO-5,7,10(19)-CHOLESTATRIENE-1,3,25-TRIOL
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43FO5S
InChI InChI=1S/C27H43FO5S/c1-16(7-5-11-26(2,3)31)20-9-10-21-17(8-6-12-27(20,21)4)13-23-19-14-18(29)15-22(30)24(19)25(28)34(23,32)33/h13,16,18,20-23,25,29-31H,5-12,14-15H2,1-4H3/b17-13+/t16?,18-,20?,21?,22+,23+,25+,27?/m0/s1
InChIKey CQIPBEKVKCNUJU-ZYYQWZNWSA-N
Literature Reference Author M.SHIMIZU,Y.IWASAKI,A.OHNO,S.YAMADA
Literature Reference Citation CHEM.PHARM.BULL.,48,1484(2000)
Literature Reference DOI 10.1248/cpb.48.1484
Solvent CDCl3
Source File Reference UWVN4627