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3-Hydroxy-3-aza-5.alpha.-cholestane-2,4-dione

View entire compound with spectra: 1 MS (GC)

3-Hydroxy-3-aza-5.alpha.-cholestane-2,4-dione
SpectraBase Compound ID BB440UM3adq
InChI InChI=1S/C26H43NO3/c1-16(2)7-6-8-17(3)19-11-12-20-18-9-10-22-24(29)27(30)23(28)15-26(22,5)21(18)13-14-25(19,20)4/h16-22,30H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22+,25-,26-/m1/s1
InChIKey LXTPPTGHAUWJPU-JPHKXNKNSA-N
Mol Weight 417.6 g/mol
Molecular Formula C26H43NO3
Exact Mass 417.324294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EExhFhcF3Pr
Name 3-Hydroxy-3-aza-5.alpha.-cholestane-2,4-dione
Alternate Name(s) (4aR,4bS,6aR,7R,9aS,9bS,11aR)-7-[(1R)-1,5-dimethylhexyl]-2-hydroxy-4a,6a-dimethyltetradecahydro-1H-indeno[5,4-f]isoquinoline-1,3(2H)-dione
CAS Registry Number 123263-93-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H43NO3
InChI InChI=1S/C26H43NO3/c1-16(2)7-6-8-17(3)19-11-12-20-18-9-10-22-24(29)27(30)23(28)15-26(22,5)21(18)13-14-25(19,20)4/h16-22,30H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22+,25-,26-/m1/s1
InChIKey LXTPPTGHAUWJPU-JPHKXNKNSA-N
Molecular Weight 417.634 g/mol
SMILES ON1C(C[C@]2([C@](C1=O)(CC[C@]1([C@@]3(CC[C@@]([C@]3(CC[C@]21[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C)=O
SPLASH splash10-07vi-9260400000-761adf7ab5f6d4542953
Source of Spectrum J-54-5951-6
Wiley ID 1376909