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(5Z,7E,10E)-19-Fluoro-9,10-seco-5,7,10(19)-cholestriene-1,3-diol
SpectraBase Compound ID 7ghUoHmKiLY
InChI InChI=1S/C27H43FO2/c1-19(7-5-15-26(2,3)30)24-13-14-25-20(8-6-16-27(24,25)4)9-10-21-17-23(29)12-11-22(21)18-28/h9,17-19,23-25,29-30H,5-8,10-16H2,1-4H3/b20-9+,22-18-/t19-,23+,24?,25?,27-/m1/s1
InChIKey UJIAKTCQEQRICA-MNNRKEJTSA-N
Mol Weight 418.6 g/mol
Molecular Formula C27H43FO2
Exact Mass 418.324709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1H3CKSa0MC
Name (5Z,7E,10E)-19-Fluoro-9,10-seco-5,7,10(19)-cholestriene-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43FO2
InChI InChI=1S/C27H43FO2/c1-19(7-5-15-26(2,3)30)24-13-14-25-20(8-6-16-27(24,25)4)9-10-21-17-23(29)12-11-22(21)18-28/h9,17-19,23-25,29-30H,5-8,10-16H2,1-4H3/b20-9+,22-18-/t19-,23+,24?,25?,27-/m1/s1
InChIKey UJIAKTCQEQRICA-MNNRKEJTSA-N
Molecular Weight 418.637 g/mol
SMILES O[C@]1(CC\C(C(C\C=C\2C3[C@@](C([C@@](CCCC(O)(C)C)(C)[H])CC3)(CCC2)C)=C1)=C/F)[H]
SPLASH splash10-014s-0569600000-0804d774f605c949630d
Source of Spectrum E2-48-1491-12
Wiley ID 1555349