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(20R)-1.alpha.,25-Dihydroxy-24,24-difluoro-19-norvitamin D3
SpectraBase Compound ID L5lkzEpv8lk
InChI InChI=1S/C26H42F2O3/c1-17(11-13-26(27,28)24(2,3)31)22-9-10-23-19(6-5-12-25(22,23)4)8-7-18-14-20(29)16-21(30)15-18/h7-8,17,20-23,29-31H,5-6,9-16H2,1-4H3/b19-8+/t17-,20-,21-,22-,23+,25-/m1/s1
InChIKey ITEJLGRCCCYASD-HALQZYIMSA-N
Mol Weight 440.6 g/mol
Molecular Formula C26H42F2O3
Exact Mass 440.310202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1clXd5OpVGW
Name (20R)-1.alpha.,25-Dihydroxy-24,24-difluoro-19-norvitamin D3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42F2O3
InChI InChI=1S/C26H42F2O3/c1-17(11-13-26(27,28)24(2,3)31)22-9-10-23-19(6-5-12-25(22,23)4)8-7-18-14-20(29)16-21(30)15-18/h7-8,17,20-23,29-31H,5-6,9-16H2,1-4H3/b19-8+/t17-,20-,21-,22-,23+,25-/m1/s1
InChIKey ITEJLGRCCCYASD-HALQZYIMSA-N
Instrument Name Micromass AutoSpec
Ionization Type EI
Molecular Weight 440.616 g/mol
SMILES O[C@@]1(CC(C[C@](C1)(O)[H])=C\C=C\1[C@]2([C@](CCC1)([C@](CC2)([C@](C)(CCC(C(O)(C)C)(F)F)[H])[H])C)[H])[H]
SPLASH splash10-0006-9220000000-f02bb3970eeeaf37ce22
Source of Spectrum US20160347710A1
Wiley ID 1853189