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17.beta.[N-(2-Dimethylaminoethoxy)-N-methylaminomethyl]-5.beta.-androstane-3.beta.,14.beta.-diol
SpectraBase Compound ID BOFXY5jVm2b
InChI InChI=1S/C25H46N2O3/c1-23-11-9-20(28)16-18(23)6-7-22-21(23)10-12-24(2)19(8-13-25(22,24)29)17-27(5)30-15-14-26(3)4/h18-22,28-29H,6-17H2,1-5H3/t18-,19-,20+,21+,22-,23+,24-,25+/m1/s1
InChIKey QOJHINNBHXWUGI-JIBZTHFDSA-N
Mol Weight 422.7 g/mol
Molecular Formula C25H46N2O3
Exact Mass 422.350843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89hYm7L9kFn
Name 17.beta.[N-(2-Dimethylaminoethoxy)-N-methylaminomethyl]-5.beta.-androstane-3.beta.,14.beta.-diol
Comments Less than 3 mono-isotopic peaks
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Formula C25H46N2O3
InChI InChI=1S/C25H46N2O3/c1-23-11-9-20(28)16-18(23)6-7-22-21(23)10-12-24(2)19(8-13-25(22,24)29)17-27(5)30-15-14-26(3)4/h18-22,28-29H,6-17H2,1-5H3/t18-,19-,20+,21+,22-,23+,24-,25+/m1/s1
InChIKey QOJHINNBHXWUGI-JIBZTHFDSA-N
Molecular Weight 422.654 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@](CC[C@@]4(CN(OCCN(C)C)C)[H])([C@@]3(CC[C@@]2(C1)[H])[H])O)C)[H])C)[H]
SPLASH splash10-000i-9000200000-934dd7192befb141612d
Source of Spectrum F2-43-2344-32
Synonyms (3beta,5beta,14beta,17beta)-17-{[[2-(dimethylamino)ethoxy](methyl)amino]methyl}androstane-3,14-diol 17.beta.[N-(2-Dimethylaminoethoxy)-N-methylaminomethyl]-5.beta.-androstane-3.beta.,14.beta.-diol oxalate (3S,5R,8R,9S,10S,13R,14S,17S)-17-[[2-(dimethylamino)ethoxy-methylamino]methyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Wiley ID 1600723