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(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(3E)-3-(2-aminoethoxyimino)propyl]-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-[(3E)-3-(2-aminoethoxyimino)propyl]-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 B0043Ghw4S7
InChI InChI=1S/C24H42N2O3/c1-22-10-8-19(27)16-18(22)5-6-21-20(22)9-11-23(2)17(7-12-24(21,23)28)4-3-14-26-29-15-13-25/h14,17-21,27-28H,3-13,15-16,25H2,1-2H3/b26-14+/t17-,18+,19-,20-,21+,22-,23+,24-/m0/s1
InChIKey YFGQSHQFNJYAMR-YQNQKJQXSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H42N2O3
Exact Mass 406.319543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4L88Broz1mR
Name (3S,5R,8R,9S,10S,13R,14S,17S)-17-[(3E)-3-(2-aminoethoxyimino)propyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Alternate Name(s) (3S,5R,8R,9S,10S,13R,14S,17S)-17-[(3E)-3-(2-aminoethyloximino)propyl]-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,17S)-17-[(3E)-3-(2-azanylethoxyimino)propyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H42N2O3
InChI InChI=1S/C24H42N2O3/c1-22-10-8-19(27)16-18(22)5-6-21-20(22)9-11-23(2)17(7-12-24(21,23)28)4-3-14-26-29-15-13-25/h14,17-21,27-28H,3-13,15-16,25H2,1-2H3/b26-14+/t17-,18+,19-,20-,21+,22-,23+,24-/m0/s1
InChIKey YFGQSHQFNJYAMR-YQNQKJQXSA-N
Molecular Weight 406.611 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(CC\C=N\OCCN)[H])O)C)[H])C)[H]
SPLASH splash10-004i-0009000000-3406ce0f18aaea307163
Source of Spectrum F2-43-2343-13
Wiley ID 1600740