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20R-Acetyl-20-hydroxy-3-methoxy-19-norpregna-1,3,5(10)-triene
SpectraBase Compound ID HcXGHfpc5UE
InChI InChI=1S/C23H32O3/c1-14(24)23(3,25)21-10-9-20-19-7-5-15-13-16(26-4)6-8-17(15)18(19)11-12-22(20,21)2/h6,8,13,18-21,25H,5,7,9-12H2,1-4H3/t18-,19-,20+,21+,22+,23+/m1/s1
InChIKey DMGXBUMGPIERJU-GSKAWHTLSA-N
Mol Weight 356.5 g/mol
Molecular Formula C23H32O3
Exact Mass 356.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Jghcbp4fKa
Name 20R-Acetyl-20-hydroxy-3-methoxy-19-norpregna-1,3,5(10)-triene
CAS Registry Number 68550-66-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O3
InChI InChI=1S/C23H32O3/c1-14(24)23(3,25)21-10-9-20-19-7-5-15-13-16(26-4)6-8-17(15)18(19)11-12-22(20,21)2/h6,8,13,18-21,25H,5,7,9-12H2,1-4H3/t18-,19-,20+,21+,22+,23+/m1/s1
InChIKey DMGXBUMGPIERJU-GSKAWHTLSA-N
Molecular Weight 356.506 g/mol
SMILES O[C@]([C@@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(CC1)[H])C)[H])(C(=O)C)C
SPLASH splash10-03ka-0619000000-cc4f60607fb77ff8a8ee
Source of Spectrum J-44-708-0
Synonyms (3R)-3-hydroxy-3-[(17beta)-3-methoxyestra-1,3,5(10)-trien-17-yl]-2-butanone
Wiley ID 1346153