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6.beta.-[N-(Cyanoamino)]-3-beta.-methoxymethoxy-cholestane
SpectraBase Compound ID GccUPJG1els
InChI InChI=1S/C30H52N2O2/c1-20(2)8-7-9-21(3)24-10-11-25-23-17-28(32-18-31)27-16-22(34-19-33-6)12-14-30(27,5)26(23)13-15-29(24,25)4/h20-28,32H,7-17,19H2,1-6H3/t21-,22+,23+,24-,25+,26+,27?,28-,29-,30-/m1/s1
InChIKey MKMUFGTYOVQQOD-DGLOHRAJSA-N
Mol Weight 472.8 g/mol
Molecular Formula C30H52N2O2
Exact Mass 472.402879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jchy7qmjF2O
Name 6.beta.-[N-(Cyanoamino)]-3-beta.-methoxymethoxy-cholestane
Alternate Name(s) (3beta,6beta)-3-(methoxymethoxy)cholestan-6-ylcyanamide
Comments Less than 3 mono-isotopic peaks
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Formula C30H52N2O2
InChI InChI=1S/C30H52N2O2/c1-20(2)8-7-9-21(3)24-10-11-25-23-17-28(32-18-31)27-16-22(34-19-33-6)12-14-30(27,5)26(23)13-15-29(24,25)4/h20-28,32H,7-17,19H2,1-6H3/t21-,22+,23+,24-,25+,26+,27?,28-,29-,30-/m1/s1
InChIKey MKMUFGTYOVQQOD-DGLOHRAJSA-N
Molecular Weight 472.758 g/mol
SMILES N(C#N)[C@@]1(C[C@@]2([C@@]([C@@]3(C1C[C@](CC3)(OCOC)[H])C)(CC[C@@]1([C@@]([C@@](CCCC(C)C)(C)[H])(CC[C@@]21[H])[H])C)[H])[H])[H]
SPLASH splash10-03di-0000900000-ca8f20ec60e9b6a6ea04
Source of Spectrum SO-0-1056-3
Wiley ID 1539093