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11.beta.-Ethoxyestra-1,3,5(10),16-tetraene-3,17-diol Diacetate

View entire compound with spectra: 1 MS (GC)

11.beta.-Ethoxyestra-1,3,5(10),16-tetraene-3,17-diol Diacetate
SpectraBase Compound ID Ilg7ulC0rV8
InChI InChI=1S/C24H30O5/c1-5-27-21-13-24(4)20(10-11-22(24)29-15(3)26)19-8-6-16-12-17(28-14(2)25)7-9-18(16)23(19)21/h7,9,11-12,19-21,23H,5-6,8,10,13H2,1-4H3/t19-,20-,21-,23+,24-/m0/s1
InChIKey ZWIURXKJFOVHKP-SOTFAZIXSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JbkxZVAKZ8
Name 11.beta.-Ethoxyestra-1,3,5(10),16-tetraene-3,17-diol Diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-5-27-21-13-24(4)20(10-11-22(24)29-15(3)26)19-8-6-16-12-17(28-14(2)25)7-9-18(16)23(19)21/h7,9,11-12,19-21,23H,5-6,8,10,13H2,1-4H3/t19-,20-,21-,23+,24-/m0/s1
InChIKey ZWIURXKJFOVHKP-SOTFAZIXSA-N
Molecular Weight 398.499 g/mol
SMILES c1(ccc2c(c1)CC[C@]1([C@@]3(CC=C([C@@]3(C)C[C@@]([C@]21[H])(OCC)[H])OC(C)=O)[H])[H])OC(C)=O
SPLASH splash10-0002-0901000000-541cb882b10f95e7c18a
Source of Spectrum E1-36-267-2
Synonyms (11beta)-17-(acetyloxy)-11-ethoxyestra-1,3,5(10),16-tetraen-3-yl acetate Acetic acid[(8S,9S,11S,13S,14S)-3-acetoxy-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ester Acetic acid[(8S,9S,11S,13S,14S)-3-acetyloxy-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ester [(8S,9S,11S,13S,14S)-3-acetoxy-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]acetate [(8S,9S,11S,13S,14S)-3-acetyloxy-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]acetate [(8S,9S,11S,13S,14S)-3-acetyloxy-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]ethanoate Acetic acid [(8S,9S,11S,13S,14S)-3-acetyloxy-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ester [(8S,9S,11S,13S,14S)-3-acetyloxy-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate [(8S,9S,11S,13S,14S)-3-acetoxy-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate [(8S,9S,11S,13S,14S)-3-acetyloxy-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
Wiley ID 1574633