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6,7-Dehydro-1.alpha.-hydroxyprevitamin D3

View entire compound with spectra: 1 MS (GC)

6,7-Dehydro-1.alpha.-hydroxyprevitamin D3
SpectraBase Compound ID FhR05BeXzKy
InChI InChI=1S/C27H42O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h10,18-19,23-26,28-29H,6-9,13-17H2,1-5H3/t19-,23+,24-,25+,26-,27-/m1/s1
InChIKey VRPVXFCJLKPQFY-OEEKBWFQSA-N
Mol Weight 398.6 g/mol
Molecular Formula C27H42O2
Exact Mass 398.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LH0fTMKig5t
Name 6,7-Dehydro-1.alpha.-hydroxyprevitamin D3
Alternate Name(s) (1R,3S)-9,10-secocholesta-5(10),8-dien-6-yne-1,3-diol 6,7-Dehydro-1.alpha.-hydroxyprevltamin D3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O2
InChI InChI=1S/C27H42O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h10,18-19,23-26,28-29H,6-9,13-17H2,1-5H3/t19-,23+,24-,25+,26-,27-/m1/s1
InChIKey VRPVXFCJLKPQFY-OEEKBWFQSA-N
Molecular Weight 398.631 g/mol
SMILES O[C@@]1(C[C@](CC(=C1C)C#CC=1[C@]2([C@@]([C@](CC2)([C@@](CCCC(C)C)(C)[H])[H])(CCC1)C)[H])(O)[H])[H]
SPLASH splash10-004i-0009000000-61a4203c4f1626a17ba7
Source of Spectrum F-47-3495-2
Wiley ID 1368708