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ESTRA-1,3,5(10)-TRIENE-7.ALPHA.-METHYL-3-OL-17-ONE(17-O-METHYLOXIME)
SpectraBase Compound ID ZloVQdJEau
InChI InChI=1S/C20H27NO2/c1-12-10-13-11-14(22)4-5-15(13)16-8-9-20(2)17(19(12)16)6-7-18(20)21-23-3/h4-5,11-12,16-17,19,22H,6-10H2,1-3H3/b21-18+
InChIKey UYRXTENFLUJEOD-DYTRJAOYSA-N
Mol Weight 313.44 g/mol
Molecular Formula C20H27NO2
Exact Mass 313.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSItyTT8MT5
Name ESTRA-1,3,5(10)-TRIENE-7.ALPHA.-METHYL-3-OL-17-ONE(17-O-METHYLOXIME)
Alternate Name(s) 3-HYDROXY-7-METHYLESTRA-1(10),2,4-TRIEN-17-ONE O-METHYLOXIME
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H27NO2
InChI InChI=1S/C20H27NO2/c1-12-10-13-11-14(22)4-5-15(13)16-8-9-20(2)17(19(12)16)6-7-18(20)21-23-3/h4-5,11-12,16-17,19,22H,6-10H2,1-3H3/b21-18+
InChIKey UYRXTENFLUJEOD-DYTRJAOYSA-N
Nominal Mass 313 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12CC\C(=N/OC)C1(C)CCC1c3ccc(cc3CC(C)C21)O
SPLASH splash10-001i-2591000000-ee81951e08b6e47a2b1c
Source File Reference LMCM-71629-152Z
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK