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5,6.alpha.-Epoxy-5.alpha.-cholestan-3.alpha.-ol
SpectraBase Compound ID D4qY9P7ATSY
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24+,25-,26-,27-/m1/s1
InChIKey PRYIJAGAEJZDBO-FRYLZWIASA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4AgGa54QiK
Name 5,6.alpha.-Epoxy-5.alpha.-cholestan-3.alpha.-ol
Comments Less than 3 mono-isotopic peaks
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Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24+,25-,26-,27-/m1/s1
InChIKey PRYIJAGAEJZDBO-FRYLZWIASA-N
Molecular Weight 402.663 g/mol
SMILES O[C@]1(C[C@]23O[C@]3(C[C@@]3([C@@]([C@]2(CC1)C)(CC[C@@]1([C@@]([C@@](CCCC(C)C)(C)[H])(CC[C@@]31[H])[H])C)[H])[H])[H])[H]
SPLASH splash10-0udi-0004900000-a89120ca014b27bfd5ce
Source of Spectrum PS-50-1842-15
Synonyms (3R,4aS,5aS,6aS,6bS,9R,9aR,11aS,11bR)-9-[(1R)-1,5-dimethylhexyl]-9a,11b-dimethylhexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol
Wiley ID 1370706