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A-nor-5.alpha.-cholestane-2,3-dione 3-oxime
SpectraBase Compound ID C5McFrckeLu
InChI InChI=1S/C26H43NO2/c1-16(2)7-6-8-17(3)19-11-12-20-18-9-10-22-24(27-29)23(28)15-26(22,5)21(18)13-14-25(19,20)4/h16-22,29H,6-15H2,1-5H3/b27-24-/t17-,18+,19-,20+,21+,22+,25-,26-/m1/s1
InChIKey WWONYGINLKUHSR-GTMDWQCYSA-N
Mol Weight 401.6 g/mol
Molecular Formula C26H43NO2
Exact Mass 401.32938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KU9YwYYefJm
Name A-nor-5.alpha.-cholestane-2,3-dione 3-oxime
CAS Registry Number 123239-82-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H43NO2
InChI InChI=1S/C26H43NO2/c1-16(2)7-6-8-17(3)19-11-12-20-18-9-10-22-24(27-29)23(28)15-26(22,5)21(18)13-14-25(19,20)4/h16-22,29H,6-15H2,1-5H3/b27-24-/t17-,18+,19-,20+,21+,22+,25-,26-/m1/s1
InChIKey WWONYGINLKUHSR-GTMDWQCYSA-N
Molecular Weight 401.635 g/mol
SMILES O\N=C\1[C@]2([C@@]([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])(CC2)[H])[H])(CC1=O)C)[H]
SPLASH splash10-0a4l-9126100000-7bf7b9d81d15a8a67b33
Source of Spectrum J-54-5951-7
Synonyms (1Z,3aR,3bS,5aR,6R,8aS,8bS,10aR)-6-[(1R)-1,5-dimethylhexyl]-3a,5a-dimethyltetradecahydrodicyclopenta[a,f]naphthalene-1,2-dione 1-oxime
Wiley ID 1370065