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6-Nitro-4-azacholest-5-en-3-one

View entire compound with spectra: 2 MS (GC)

6-Nitro-4-azacholest-5-en-3-one
SpectraBase Compound ID DFnsVaoEYHt
InChI InChI=1S/C26H42N2O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-15-22(28(30)31)24-26(5,14-12-23(29)27-24)21(18)11-13-25(19,20)4/h16-21H,6-15H2,1-5H3,(H,27,29)/t17-,18+,19-,20+,21+,25-,26-/m1/s1
InChIKey IILOPPKEHJHRAT-OJGZTUPUSA-N
Mol Weight 430.6 g/mol
Molecular Formula C26H42N2O3
Exact Mass 430.319543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gr2OFCvueEJ
Name 6-Nitro-4-azacholest-5-en-3-one
Alternate Name(s) 6-Nitro-4-azachlolest-5-en-3-one (4aR,4bS,6aR,7R,9aS,9bS)-7-[(1R)-1,5-dimethylhexyl]-4a,6a-dimethyl-11-nitro-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2H-indeno[5,4-f]quinolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42N2O3
InChI InChI=1S/C26H42N2O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-15-22(28(30)31)24-26(5,14-12-23(29)27-24)21(18)11-13-25(19,20)4/h16-21H,6-15H2,1-5H3,(H,27,29)/t17-,18+,19-,20+,21+,25-,26-/m1/s1
InChIKey IILOPPKEHJHRAT-OJGZTUPUSA-N
Molecular Weight 430.633 g/mol
SMILES N1C(CC[C@@]2([C@@]3([C@@](CC(=C12)N(=O)=O)([C@]1([C@](CC3)([C@](CC1)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])C)=O
SPLASH splash10-000t-0009500000-165cadd733956cd3c7d3
Source of Spectrum AT-37-2082-3
Wiley ID 853511