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(E,E)-17.beta.[3-[(2-Dimethylaminoethoxy)imino]-1-propenyl]-5.beta.-androstane-3.beta.,14.beta.-diol

View entire compound with spectra: 1 MS (GC)

(E,E)-17.beta.[3-[(2-Dimethylaminoethoxy)imino]-1-propenyl]-5.beta.-androstane-3.beta.,14.beta.-diol
SpectraBase Compound ID EdarLUmLpTP
InChI InChI=1S/C26H44N2O3/c1-24-12-10-21(29)18-20(24)7-8-23-22(24)11-13-25(2)19(9-14-26(23,25)30)6-5-15-27-31-17-16-28(3)4/h5-6,15,19-23,29-30H,7-14,16-18H2,1-4H3/b6-5+,27-15+/t19-,20+,21-,22-,23+,24-,25+,26-/m0/s1
InChIKey MTBSMTBFZVSBGI-DHXUBDQFSA-N
Mol Weight 432.6 g/mol
Molecular Formula C26H44N2O3
Exact Mass 432.335193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iuoUHYQ7x1
Name (E,E)-17.beta.[3-[(2-Dimethylaminoethoxy)imino]-1-propenyl]-5.beta.-androstane-3.beta.,14.beta.-diol
Alternate Name(s) (1S,2S,5S,7R,10R,11S,14R,15R)-14-[(1E,3E)-3-{[2-(dimethylamino)ethoxy]imino}prop-1-en-1-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-5,11-diol (3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-dimethylaminoethyloximino)prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol (3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-dimethylaminoethyloxyimino)prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol (E,E)-17.beta.[3-[(2-Dimethylaminoethoxy)imino]-1-propenyl]-5.beta.-androstane-3.beta.,14.beta.-diol oxalate (3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-[2-(dimethylamino)ethoxyimino]prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Comments Removed - expert review: contamination (acetone))
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Formula C26H44N2O3
InChI InChI=1S/C26H44N2O3/c1-24-12-10-21(29)18-20(24)7-8-23-22(24)11-13-25(2)19(9-14-26(23,25)30)6-5-15-27-31-17-16-28(3)4/h5-6,15,19-23,29-30H,7-14,16-18H2,1-4H3/b6-5+,27-15+/t19-,20+,21-,22-,23+,24-,25+,26-/m0/s1
InChIKey MTBSMTBFZVSBGI-DHXUBDQFSA-N
Molecular Weight 432.649 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=N\OCCN(C)C)[H])O)C)[H])C)[H]
SPLASH splash10-0a4i-9000000000-921ff9c781516c706f44
Source of Spectrum F2-43-2343-18
Wiley ID 1600736