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24-F-1,25(OH)2D3
SpectraBase Compound ID GCs8JorXlAw
InChI InChI=1S/C27H43FO3/c1-17(8-13-25(28)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(29)16-24(30)18(20)2/h9-10,17,21-25,29-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23?,24+,25-,27-/m1/s1
InChIKey IKIJCYTYFSKDCO-KTDZVEJCSA-N
Mol Weight 434.6 g/mol
Molecular Formula C27H43FO3
Exact Mass 434.319623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRxfN1fj9Mo
Name 24-F-1,25(OH)2D3
CAS Registry Number 86677-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43FO3
InChI InChI=1S/C27H43FO3/c1-17(8-13-25(28)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(29)16-24(30)18(20)2/h9-10,17,21-25,29-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23?,24+,25-,27-/m1/s1
InChIKey IKIJCYTYFSKDCO-KTDZVEJCSA-N
Molecular Weight 434.636 g/mol
SMILES O[C@]1(C[C@@](C\C(C1=C)=C/C=C/1C2[C@@]([C@](CC2)([C@@](CC[C@](C(O)(C)C)(F)[H])(C)[H])[H])(CCC1)C)(O)[H])[H]
SPLASH splash10-001i-0900200000-50de7a45cbd5cc0b7d5d
Source of Spectrum J-53-1045-1
Synonyms 24-Fluoro-1,25-dihydroxycholecalciferol 24-Fluorocalcitriol 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, 24-fluoro-, (1alpha,3beta,5Z,7E,24R)-
Wiley ID 1383078