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ESTRA-1,3,5(10)-TRIENE-3-OL-6,17-DIONE(6,17-DI-O-METHYLOXIME)
SpectraBase Compound ID EJnLtpFmSOg
InChI InChI=1S/C20H26N2O3/c1-20-9-8-14-13-5-4-12(23)10-16(13)18(21-24-2)11-15(14)17(20)6-7-19(20)22-25-3/h4-5,10,14-15,17,23H,6-9,11H2,1-3H3/b21-18-,22-19-
InChIKey HJPWHUMRJFAYRG-FRRVGIRPSA-N
Mol Weight 342.44 g/mol
Molecular Formula C20H26N2O3
Exact Mass 342.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvMh0Rew4R5
Name ESTRA-1,3,5(10)-TRIENE-3-OL-6,17-DIONE(6,17-DI-O-METHYLOXIME)
Alternate Name(s) 3-HYDROXYESTRA-1(10),2,4-TRIENE-6,17-DIONE BIS(O-METHYLOXIME)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H26N2O3
InChI InChI=1S/C20H26N2O3/c1-20-9-8-14-13-5-4-12(23)10-16(13)18(21-24-2)11-15(14)17(20)6-7-19(20)22-25-3/h4-5,10,14-15,17,23H,6-9,11H2,1-3H3/b21-18-,22-19-
InChIKey HJPWHUMRJFAYRG-FRRVGIRPSA-N
Nominal Mass 342 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12C\C(c3cc(O)ccc3C2CCC2(C)\C(CCC12)=N/OC)=N\OC
SPLASH splash10-03kc-3697000000-839daaead07458392e8b
Source File Reference LMCM-26150-816G
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK