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Cholestan-6-one, 3-(methoxymethoxy)-, (3.beta.,5.alpha.)-
SpectraBase Compound ID 85lLO4Makxh
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)23-10-11-24-22-17-27(30)26-16-21(32-18-31-6)12-14-29(26,5)25(22)13-15-28(23,24)4/h19-26H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,28-,29-/m1/s1
InChIKey QTRININPDVVGDT-VZHMZPJWSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HX14uk8k9Ln
Name Cholestan-6-one, 3-(methoxymethoxy)-, (3.beta.,5.alpha.)-
CAS Registry Number 98006-09-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)23-10-11-24-22-17-27(30)26-16-21(32-18-31-6)12-14-29(26,5)25(22)13-15-28(23,24)4/h19-26H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,28-,29-/m1/s1
InChIKey QTRININPDVVGDT-VZHMZPJWSA-N
Molecular Weight 446.716 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC([C@]2(C[C@](CC1)(OCOC)[H])[H])=O)[H])C
SPLASH splash10-001i-0009400000-bc312a4e9bcd8f136ffe
Source of Spectrum KC-1987-939-2
Synonyms (3beta,5alpha)-3-(methoxymethoxy)cholestan-6-one 3.beta.-methoxymethoxy-5.alpha.-cholestan-6-one
Wiley ID 1386820