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6-Azacholestan-7-one
SpectraBase Compound ID DWKfMges9IZ
InChI InChI=1S/C26H45NO/c1-17(2)9-8-10-18(3)19-12-13-20-23-21(14-16-25(19,20)4)26(5)15-7-6-11-22(26)27-24(23)28/h17-23H,6-16H2,1-5H3,(H,27,28)/t18-,19-,20+,21+,22?,23+,25-,26-/m1/s1
InChIKey FUOQMNMXDCVPLX-MFSQDMFYSA-N
Mol Weight 387.7 g/mol
Molecular Formula C26H45NO
Exact Mass 387.350115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Z544ttdRY
Name 6-Azacholestan-7-one
CAS Registry Number 5226-42-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H45NO
InChI InChI=1S/C26H45NO/c1-17(2)9-8-10-18(3)19-12-13-20-23-21(14-16-25(19,20)4)26(5)15-7-6-11-22(26)27-24(23)28/h17-23H,6-16H2,1-5H3,(H,27,28)/t18-,19-,20+,21+,22?,23+,25-,26-/m1/s1
InChIKey FUOQMNMXDCVPLX-MFSQDMFYSA-N
Molecular Weight 387.652 g/mol
SMILES N1C2[C@@]([C@]3(CC[C@]4([C@]([C@@]3(C1=O)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCCC2)C
SPLASH splash10-059y-4894000000-a8067d73df7fd042887f
Source of Spectrum T-67-4687-0
Synonyms (1R,3aS,3bS,9aR,9bS,11aR)-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethylhexadecahydro-4H-cyclopenta[i]phenanthridin-4-one 6-Aza-5.XI.-cholestan-7-one
Wiley ID 1363490