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ESTR-4-ENE-7.ALPHA.-METHYL-17.BETA.-OL-3-ONE(17.BETA.-ACETATE)
SpectraBase Compound ID JFoHbdaj5gl
InChI InChI=1S/C21H30O3/c1-12-10-14-11-15(23)4-5-16(14)17-8-9-21(3)18(20(12)17)6-7-19(21)24-13(2)22/h11-12,16-20H,4-10H2,1-3H3
InChIKey IVCRCPJOLWECJU-UHFFFAOYSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AqbldgYVd4
Name ESTR-4-ENE-7.ALPHA.-METHYL-17.BETA.-OL-3-ONE(17.BETA.-ACETATE)
Alternate Name(s) 7-METHYL-3-OXOESTR-4-EN-17-YL ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-12-10-14-11-15(23)4-5-16(14)17-8-9-21(3)18(20(12)17)6-7-19(21)24-13(2)22/h11-12,16-20H,4-10H2,1-3H3
InChIKey IVCRCPJOLWECJU-UHFFFAOYSA-N
Nominal Mass 330 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12CCC(OC(C)=O)C1(C)CCC1C3CCC(C=C3CC(C)C21)=O
SPLASH splash10-0233-5972000000-0643cf031641756443b3
Source File Reference LMCM-65421-563Q
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK