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4-Aza-A-homo-5.alpha.-Cholestan-4.alpha.-one
SpectraBase Compound ID Al55cPmfdp5
InChI InChI=1S/C27H47NO/c1-18(2)8-6-9-19(3)21-12-13-22-20-10-11-24-25(29)28-17-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-24H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21-,22+,23+,24+,26-,27-/m1/s1
InChIKey FWHDKLFJIKONDW-HVPCJGPWSA-N
Mol Weight 401.7 g/mol
Molecular Formula C27H47NO
Exact Mass 401.365765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4E1LYIm43eb
Name 4-Aza-A-homo-5.alpha.-Cholestan-4.alpha.-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H47NO
InChI InChI=1S/C27H47NO/c1-18(2)8-6-9-19(3)21-12-13-22-20-10-11-24-25(29)28-17-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-24H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21-,22+,23+,24+,26-,27-/m1/s1
InChIKey FWHDKLFJIKONDW-HVPCJGPWSA-N
Molecular Weight 401.679 g/mol
SMILES N1CCC[C@]2([C@](C1=O)(CC[C@]1([C@]3([C@](CC[C@]21[H])([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])C
SPLASH splash10-0w2i-0932800000-49a8b166383686d9ddd0
Source of Spectrum KC-22-2496-0
Synonyms (5aR,5bS,7aR,8R,10aS,10bS,12aR)-8-[(1R)-1,5-dimethylhexyl]-5a,7a-dimethylhexadecahydrocyclopenta[5,6]naphtho[2,1-c]azepin-1(2H)-one
Wiley ID 1370092