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Cholestan-6-one, 3-(methoxymethoxy)-, oxime, (3.beta.,5.alpha.)-
SpectraBase Compound ID GbrxWcwfChI
InChI InChI=1S/C29H51NO3/c1-19(2)8-7-9-20(3)23-10-11-24-22-17-27(30-31)26-16-21(33-18-32-6)12-14-29(26,5)25(22)13-15-28(23,24)4/h19-26,31H,7-18H2,1-6H3/b30-27+/t20-,21+,22+,23-,24+,25+,26-,28-,29-/m1/s1
InChIKey RYARIKIYWHHNFA-VXTRBQFBSA-N
Mol Weight 461.7 g/mol
Molecular Formula C29H51NO3
Exact Mass 461.386895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jos7Kgn7lod
Name Cholestan-6-one, 3-(methoxymethoxy)-, oxime, (3.beta.,5.alpha.)-
CAS Registry Number 111944-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H51NO3
InChI InChI=1S/C29H51NO3/c1-19(2)8-7-9-20(3)23-10-11-24-22-17-27(30-31)26-16-21(33-18-32-6)12-14-29(26,5)25(22)13-15-28(23,24)4/h19-26,31H,7-18H2,1-6H3/b30-27+/t20-,21+,22+,23-,24+,25+,26-,28-,29-/m1/s1
InChIKey RYARIKIYWHHNFA-VXTRBQFBSA-N
Molecular Weight 461.731 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])([H])C1)[H])(CC[C@](OCOC)(C2)[H])C)[H]
SPLASH splash10-001j-0009300000-79aa5b2ec6d020ee2182
Source of Spectrum KC-1987-939-3
Synonyms (3beta,5alpha)-3-(methoxymethoxy)cholestan-6-one oxime 3.beta.-methoxymethoxy-5.alpha.-cholestan-6-one oxime
Wiley ID 1390843