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17.alpha.-Hydroxy-3-methoxy-19-norpregna-1,3,5(10)-trien-20-one
SpectraBase Compound ID 9aioGIb1lWj
InChI InChI=1S/C21H28O3/c1-13(22)21(23)11-9-19-18-6-4-14-12-15(24-3)5-7-16(14)17(18)8-10-20(19,21)2/h5,7,12,17-19,23H,4,6,8-11H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey GESJYEGFQBGRID-MJCUULBUSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lhREPnElOR
Name 17.alpha.-Hydroxy-3-methoxy-19-norpregna-1,3,5(10)-trien-20-one
Alternate Name(s) 1-[(17alpha)-17-hydroxy-3-methoxyestra-1,3,5(10)-trien-17-yl]ethanone
CAS Registry Number 1624-58-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-13(22)21(23)11-9-19-18-6-4-14-12-15(24-3)5-7-16(14)17(18)8-10-20(19,21)2/h5,7,12,17-19,23H,4,6,8-11H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey GESJYEGFQBGRID-MJCUULBUSA-N
Molecular Weight 328.452 g/mol
SMILES O[C@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(CC1)[H])C)C(=O)C
SPLASH splash10-004i-0197000000-b343e6e7a2ebd54ab2e3
Source of Spectrum J-44-78-0
Wiley ID 1326676