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3-.beta.-Methoxymethoxy-cholestan-6-one
SpectraBase Compound ID 9TmtQiTTaWq
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-KEWMVMEASA-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 zLPvGZLvUS
Name 3-.beta.-Methoxymethoxy-cholestan-6-one
Comments Less than 3 mono-isotopic peaks
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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-KEWMVMEASA-N
Molecular Weight 446.716 g/mol
SMILES [C@]1(CC[C@]2(C(C1)C(C[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)(OCOC)[H]
SPLASH splash10-000i-0009200000-c8d84bba1f7ea426321d
Source of Spectrum SO-0-1058-3
Synonyms (3beta)-3-(methoxymethoxy)cholestan-6-one
Wiley ID 1539082