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ESTR-4-ENE-17.ALPHA.-METHYL-17.BETA.-OL-3-ONE(3-O-METHYLOXIME)
SpectraBase Compound ID 1aLQfDA3kAv
InChI InChI=1S/C20H31NO2/c1-19-10-8-16-15-7-5-14(21-23-3)12-13(15)4-6-17(16)18(19)9-11-20(19,2)22/h12,15-18,22H,4-11H2,1-3H3/b21-14+
InChIKey OADLBUJUVXULNZ-KGENOOAVSA-N
Mol Weight 317.47 g/mol
Molecular Formula C20H31NO2
Exact Mass 317.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBVDiwrLrDM
Name ESTR-4-ENE-17.ALPHA.-METHYL-17.BETA.-OL-3-ONE(3-O-METHYLOXIME)
Alternate Name(s) 17-HYDROXY-17-METHYLESTR-4-EN-3-ONE O-METHYLOXIME
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c1-19-10-8-16-15-7-5-14(21-23-3)12-13(15)4-6-17(16)18(19)9-11-20(19,2)22/h12,15-18,22H,4-11H2,1-3H3/b21-14+
InChIKey OADLBUJUVXULNZ-KGENOOAVSA-N
Nominal Mass 317 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCC4=C\C(=N\OC)CCC34)C1CCC2(C)O
SPLASH splash10-014i-7898000000-aa8b6200d9df2bc2537d
Source File Reference LMCM-87581-531C
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK