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3-Oxoestra-4,9,11-trien-17-yl acetate
SpectraBase Compound ID I3S5sB3ZGN0
InChI InChI=1S/C19H24O3/c1-12(20)22-18-6-5-17-16-4-3-13-11-21-10-8-14(13)15(16)7-9-19(17,18)2/h7,9,11,16-18H,3-6,8,10H2,1-2H3/t16?,17?,18?,19-/m0/s1
InChIKey XHPUJRWJCZUVMP-LFVBFMBRSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7foZTqn2bPr
Name 3-OXOESTRA-4,9,11-TRIEN-17-YL ACETATE
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Exact Mass 300.172544630 u
Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-12(20)22-18-6-5-17-16-4-3-13-11-21-10-8-14(13)15(16)7-9-19(17,18)2/h7,9,11,16-18H,3-6,8,10H2,1-2H3/t16?,17?,18?,19-/m0/s1
InChIKey XHPUJRWJCZUVMP-LFVBFMBRSA-N
Molecular Weight 300.398 g/mol
Nominal Mass 300 u
Number of Peaks 270
SMILES C(C)(=O)OC1CCC2C3CCC4=COCCC4=C3C=C[C@]12C
SPLASH splash10-0w2c-6981000000-473b4c06bbf232571c2d
Source File Reference LMCM-23264-634K
Source of Spectrum Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany
Synonyms TRENBOLONACETAT (15S)-15-methyl-5-oxatetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-1,6,16-trien-14-yl acetate
Wiley ID 8_32950