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ESTRA-1,3,5(10)-TRIENE-7.ALPHA.-METHYL-3-OL-17-ONE(3-ACETATE)
SpectraBase Compound ID 6yPrKL2HjQd
InChI InChI=1S/C21H26O3/c1-12-10-14-11-15(24-13(2)22)4-5-16(14)17-8-9-21(3)18(20(12)17)6-7-19(21)23/h4-5,11-12,17-18,20H,6-10H2,1-3H3
InChIKey FRHUCMWUOPTVRN-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hp5lzb8d8SQ
Name ESTRA-1,3,5(10)-TRIENE-7.ALPHA.-METHYL-3-OL-17-ONE(3-ACETATE)
Alternate Name(s) 7-METHYL-17-OXOESTRA-1(10),2,4-TRIEN-3-YL ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-12-10-14-11-15(24-13(2)22)4-5-16(14)17-8-9-21(3)18(20(12)17)6-7-19(21)23/h4-5,11-12,17-18,20H,6-10H2,1-3H3
InChIKey FRHUCMWUOPTVRN-UHFFFAOYSA-N
Nominal Mass 326 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12CCC(=O)C1(C)CCC1c3ccc(cc3CC(C)C21)OC(C)=O
SPLASH splash10-001i-0490000000-622d2d200bc5ec6f1e42
Source File Reference LMCM-78071-334L
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK