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(5Z,7E,10E)-19-Fluoro-9,10-seco-5,7,10(19)-cholestriene-3-ol
SpectraBase Compound ID 7AijcNpgGwE
InChI InChI=1S/C27H43FO/c1-19(2)7-5-8-20(3)25-14-15-26-21(9-6-16-27(25,26)4)10-11-22-17-24(29)13-12-23(22)18-28/h10,17-20,24-26,29H,5-9,11-16H2,1-4H3/b21-10+,23-18-/t20-,24+,25?,26?,27-/m1/s1
InChIKey DHPRMHCBVMXLBU-HSCUHNSMSA-N
Mol Weight 402.6 g/mol
Molecular Formula C27H43FO
Exact Mass 402.329794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnYoR1681Y8
Name (5Z,7E,10E)-19-Fluoro-9,10-seco-5,7,10(19)-cholestriene-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43FO
InChI InChI=1S/C27H43FO/c1-19(2)7-5-8-20(3)25-14-15-26-21(9-6-16-27(25,26)4)10-11-22-17-24(29)13-12-23(22)18-28/h10,17-20,24-26,29H,5-9,11-16H2,1-4H3/b21-10+,23-18-/t20-,24+,25?,26?,27-/m1/s1
InChIKey DHPRMHCBVMXLBU-HSCUHNSMSA-N
Molecular Weight 402.638 g/mol
SMILES O[C@@]1(C=C(C\C=C\2C3[C@@](C(CC3)[C@@](CCCC(C)C)(C)[H])(CCC2)C)\C(=C/F)CC1)[H]
SPLASH splash10-0f79-0922200000-1c11bd2dc2243615bb20
Source of Spectrum E2-48-1491-2
Wiley ID 1555347