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7-Aza-A-nor-B,B-dihomo-5.alpha.-cholestan-6-one
SpectraBase Compound ID KBAJhNafylf
InChI InChI=1S/C27H47NO/c1-18(2)8-6-9-19(3)21-11-12-22-20-14-17-28-25(29)24-10-7-15-26(24,4)23(20)13-16-27(21,22)5/h18-24H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21-,22+,23+,24-,26-,27-/m1/s1
InChIKey ZELBUFGSWWFPTD-GRFPRMRASA-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 AcnSQPFkVAk
Name 7-Aza-A-nor-B,B-dihomo-5.alpha.-cholestan-6-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)21-11-12-22-20-14-17-28-25(29)24-10-7-15-26(24,4)23(20)13-16-27(21,22)5/h18-24H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21-,22+,23+,24-,26-,27-/m1/s1
InChIKey ZELBUFGSWWFPTD-GRFPRMRASA-N
Molecular Weight 401.679 g/mol
SMILES N1C([C@@]2([C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCC2)C)[H])=O
SPLASH splash10-0zfr-9102600000-6ce25a0c54f86c67c092
Source of Spectrum KC-1982-937-0
Synonyms (1R,3aS,3bS,7aS,10aR,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethylhexadecahydrocyclopenta[c]indeno[5,4-e]azocin-7(1H)-one
Wiley ID 1370086