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22S-Butyl-1.alpha.,24-dihydroxy-24,25,26-trinorvitamin D3
SpectraBase Compound ID YoSQcbPRRB
InChI InChI=1S/C28H46O3/c1-5-6-8-21(14-16-29)19(2)25-12-13-26-22(9-7-15-28(25,26)4)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b22-10+,23-11-/t19-,21+,24-,25-,26+,27+,28-/m1/s1
InChIKey MBUIFNPNESWHQQ-LGKYDQOKSA-N
Mol Weight 430.7 g/mol
Molecular Formula C28H46O3
Exact Mass 430.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBCD4Jgk1tH
Name 22S-Butyl-1.alpha.,24-dihydroxy-24,25,26-trinorvitamin D3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O3
InChI InChI=1S/C28H46O3/c1-5-6-8-21(14-16-29)19(2)25-12-13-26-22(9-7-15-28(25,26)4)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,29-31H,3,5-9,12-18H2,1-2,4H3/b22-10+,23-11-/t19-,21+,24-,25-,26+,27+,28-/m1/s1
InChIKey MBUIFNPNESWHQQ-LGKYDQOKSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm8014348
Molecular Weight 430.673 g/mol
Reported Formula C28H46O3
SMILES O[C@@]1(C\C(=C\C=C/2CCC[C@@]3([C@@]([C@@]([C@](CCO)(CCCC)[H])(C)[H])(CC[C@@]23[H])[H])C)C([C@](C1)(O)[H])=C)[H]
SPLASH splash10-0a59-9500000000-cd47cae22fef8e538217
Source of Spectrum AF-52-1446-4
Wiley ID 1873726