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(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(E)-4-(dimethylamino)butoxyiminomethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol

View entire compound with spectra: 1 MS (GC)

(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(E)-4-(dimethylamino)butoxyiminomethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
SpectraBase Compound ID HgFodMy28Sj
InChI InChI=1S/C26H46N2O3/c1-24-12-10-21(29)17-19(24)7-8-23-22(24)11-13-25(2)20(9-14-26(23,25)30)18-27-31-16-6-5-15-28(3)4/h18-23,29-30H,5-17H2,1-4H3/b27-18+/t19-,20-,21+,22+,23-,24+,25-,26+/m1/s1
InChIKey FXNUMPOTJQRZOK-GNDIRSMTSA-N
Mol Weight 434.7 g/mol
Molecular Formula C26H46N2O3
Exact Mass 434.350843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uhn1W2s7bd
Name (3S,5R,8R,9S,10S,13R,14S,17S)-17-[(E)-4-(dimethylamino)butoxyiminomethyl]-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))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46N2O3
InChI InChI=1S/C26H46N2O3/c1-24-12-10-21(29)17-19(24)7-8-23-22(24)11-13-25(2)20(9-14-26(23,25)30)18-27-31-16-6-5-15-28(3)4/h18-23,29-30H,5-17H2,1-4H3/b27-18+/t19-,20-,21+,22+,23-,24+,25-,26+/m1/s1
InChIKey FXNUMPOTJQRZOK-GNDIRSMTSA-N
Molecular Weight 434.665 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=N\OCCCCN(C)C)[H])O)C)[H])C)[H]
SPLASH splash10-0a4i-9000000000-46a499f8506bd72c0a21
Source of Spectrum F2-43-2342-6
Synonyms (3S,5R,8R,9S,10S,13R,14S,17S)-17-[(E)-4-(dimethylamino)butyloximinomethyl]-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 1600747