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ESTR-4-ENE-17.ALPHA.-ETHYNYL-17.BETA.-OL-3-ONE(3-O-METHYLOXIME-17.BETA.-ACETATE)
SpectraBase Compound ID A604rvFJh1p
InChI InChI=1S/C23H31NO3/c1-5-23(27-15(2)25)13-11-21-20-8-6-16-14-17(24-26-4)7-9-18(16)19(20)10-12-22(21,23)3/h1,14,18-21H,6-13H2,2-4H3/b24-17-
InChIKey MPEDDPRASUUKTH-ULJHMMPZSA-N
Mol Weight 369.51 g/mol
Molecular Formula C23H31NO3
Exact Mass 369.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsvGVw59a2F
Name ESTR-4-ENE-17.ALPHA.-ETHYNYL-17.BETA.-OL-3-ONE(3-O-METHYLOXIME-17.BETA.-ACETATE)
Alternate Name(s) 17-ETHYNYL-3-(METHOXYIMINO)ESTR-4-EN-17-YL ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H31NO3
InChI InChI=1S/C23H31NO3/c1-5-23(27-15(2)25)13-11-21-20-8-6-16-14-17(24-26-4)7-9-18(16)19(20)10-12-22(21,23)3/h1,14,18-21H,6-13H2,2-4H3/b24-17-
InChIKey MPEDDPRASUUKTH-ULJHMMPZSA-N
Nominal Mass 369 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCC4=C\C(=N/OC)CCC34)C1CCC2(OC(C)=O)C#C
SPLASH splash10-01b9-5968000000-11a19887b8261258a11b
Source File Reference LMCM-25454-802E
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK