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2-Methylidene-19,25,26,27-tetranor-1.alpha.,24-dihydroxyvitaminD3
SpectraBase Compound ID 6NM7ThoHLvy
InChI InChI=1S/C24H38O3/c1-16(6-5-13-25)20-10-11-21-19(7-4-12-24(20,21)3)9-8-18-14-22(26)17(2)23(27)15-18/h8-9,16,20-23,25-27H,2,4-7,10-15H2,1,3H3/b19-9+/t16-,20-,21+,22-,23-,24-/m1/s1
InChIKey JPGZPBYJMAWTHF-HCMYXCKPSA-N
Mol Weight 374.6 g/mol
Molecular Formula C24H38O3
Exact Mass 374.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aiNfVdfX6
Name 2-Methylidene-19,25,26,27-tetranor-1.alpha.,24-dihydroxyvitaminD3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O3
InChI InChI=1S/C24H38O3/c1-16(6-5-13-25)20-10-11-21-19(7-4-12-24(20,21)3)9-8-18-14-22(26)17(2)23(27)15-18/h8-9,16,20-23,25-27H,2,4-7,10-15H2,1,3H3/b19-9+/t16-,20-,21+,22-,23-,24-/m1/s1
InChIKey JPGZPBYJMAWTHF-HCMYXCKPSA-N
Instrument Name a JEOL JMS D-300 and JEOL JMS-HX110A
Ionization Type EI
Literature Reference DOI 10.1021/jm100649d
Molecular Weight 374.565 g/mol
Reported Formula C24H38O3
SMILES O[C@@]1(CC(C[C@](C1=C)(O)[H])=C\C=C\1[C@]2([C@](CCC1)([C@](CC2)([C@@](CCCO)(C)[H])[H])C)[H])[H]
SPLASH splash10-0072-5943000000-a8617474a997470e31df
Source of Spectrum AF-53-5820-3a
Wiley ID 1846229