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N,N,N,N',N'-TETRAMETHYL-1,5,9-TRIAZANONANE-1,9-BIS-(N,N'-DIMETHYL-N,N'-3-BETA-ACETATE-CHOLEST-5-ENE)-AMMONIUM-DIBROMIDE
SpectraBase Compound ID 1iVianWpVX9
InChI InChI=1S/C68H119N3O4.2BrH/c1-47(2)19-15-21-49(5)57-27-29-59-55-25-23-51-43-53(31-35-65(51,7)61(55)33-37-67(57,59)9)74-63(72)45-70(11,12)41-17-39-69-40-18-42-71(13,14)46-64(73)75-54-32-36-66(8)52(44-54)24-26-56-60-30-28-58(50(6)22-16-20-48(3)4)68(60,10)38-34-62(56)66;;/h23-24,47-50,53-62,69H,15-22,25-46H2,1-14H3;2*1H/q+2;;/p-2/t49-,50-,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,65+,66+,67-,68-;;/m1../s1
InChIKey AQLPDLHLTRBUEW-UVZOYXQRSA-L
Mol Weight 1202.5 g/mol
Molecular Formula C68H119Br2N3O4
Exact Mass 1199.756735 g/mol
Parent InChIKey SGHQAEFYTMRSLU-STNOKYBZSA-L
Enantiomer InChIKey AQLPDLHLTRBUEW-SPRZLXAWSA-L
Unknown Identification

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