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3-Propylamino-2-nitro-5.alpha.-cholest-2-ene

View entire compound with spectra: 1 MS (GC)

3-Propylamino-2-nitro-5.alpha.-cholest-2-ene
SpectraBase Compound ID 3gQpZxX56y6
InChI InChI=1S/C30H52N2O2/c1-7-17-31-27-18-22-11-12-23-25-14-13-24(21(4)10-8-9-20(2)3)29(25,5)16-15-26(23)30(22,6)19-28(27)32(33)34/h20-26,31H,7-19H2,1-6H3/t21-,22+,23+,24-,25+,26+,29-,30+/m1/s1
InChIKey ARKYOBXLOCBAPT-VOHXNESNSA-N
Mol Weight 472.8 g/mol
Molecular Formula C30H52N2O2
Exact Mass 472.402879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61gzXdimrdz
Name 3-Propylamino-2-nitro-5.alpha.-cholest-2-ene
Alternate Name(s) N-[(5alpha)-2-nitrocholest-2-en-3-yl]-1-propanamine N-[(5alpha)-2-nitrocholest-2-en-3-yl]-N-propylamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52N2O2
InChI InChI=1S/C30H52N2O2/c1-7-17-31-27-18-22-11-12-23-25-14-13-24(21(4)10-8-9-20(2)3)29(25,5)16-15-26(23)30(22,6)19-28(27)32(33)34/h20-26,31H,7-19H2,1-6H3/t21-,22+,23+,24-,25+,26+,29-,30+/m1/s1
InChIKey ARKYOBXLOCBAPT-VOHXNESNSA-N
Molecular Weight 472.758 g/mol
SMILES N(C1=C(N(=O)=O)C[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@@]2([H])C1)[H])C)CCC
SPLASH splash10-00dr-0000900000-c3cc06fa7e4a380647a2
Source of Spectrum G-63-1594-6
Wiley ID 749327