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(E,E,E)-17.beta.-[5-(2-N,N-Dimethylaminoethoxy)imino-2,4-pentadien-1-yl]-5.beta.-androstane-3.beta.,14.beta.-diol oxalate
SpectraBase Compound ID 6N9ATFXTI7N
InChI InChI=1S/C28H46N2O3/c1-26-14-12-23(31)20-22(26)9-10-25-24(26)13-15-27(2)21(11-16-28(25,27)32)8-6-5-7-17-29-33-19-18-30(3)4/h5-7,21-25,31-32H,8-16,18-20H2,1-4H3/b6-5+/t21-,22+,23-,24-,25+,26-,27+,28-/m0/s1
InChIKey PTAIIPKHZARNJM-KIUHHTFGSA-N
Mol Weight 458.7 g/mol
Molecular Formula C28H46N2O3
Exact Mass 458.350843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqDns1sfEs6
Name (E,E,E)-17.beta.-[5-(2-N,N-Dimethylaminoethoxy)imino-2,4-pentadien-1-yl]-5.beta.-androstane-3.beta.,14.beta.-diol oxalate
Comments Removed - expert review: contamination (acetone))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46N2O3
InChI InChI=1S/C28H46N2O3/c1-26-14-12-23(31)20-22(26)9-10-25-24(26)13-15-27(2)21(11-16-28(25,27)32)8-6-5-7-17-29-33-19-18-30(3)4/h5-7,21-25,31-32H,8-16,18-20H2,1-4H3/b6-5+/t21-,22+,23-,24-,25+,26-,27+,28-/m0/s1
InChIKey PTAIIPKHZARNJM-KIUHHTFGSA-N
Molecular Weight 458.687 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@@]([C@@]3(CC[C@@]2(C1)[H])[H])(CC[C@@]4(C\C=C\C=C=NOCCN(C)C)[H])O)C)[H])C)[H]
SPLASH splash10-0a4i-9000000000-e51a77f92c5e94377ef5
Source of Spectrum F2-43-2344-27
Synonyms (1S,2S,5S,7R,10R,11S,14R,15R)-14-[(2E)-5-{[2-(dimethylamino)ethoxy]imino}penta-2,4-dien-1-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-5,11-diol
Wiley ID 1600727