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Estra-1,3,5(10)-trien-17-one, 16-bromo-3-methoxy-
SpectraBase Compound ID CxKJmu4hypz
InChI InChI=1S/C19H23BrO2/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-17H,3,5,7-8,10H2,1-2H3
InChIKey CSELWEPNDJXTQB-UHFFFAOYSA-N
Mol Weight 363.3 g/mol
Molecular Formula C19H23BrO2
Exact Mass 362.088143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfngrBU0hfW
Name Estra-1,3,5(10)-trien-17-one, 16-bromo-3-methoxy-
CAS Registry Number 51262-23-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23BrO2
InChI InChI=1S/C19H23BrO2/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-17H,3,5,7-8,10H2,1-2H3
InChIKey CSELWEPNDJXTQB-UHFFFAOYSA-N
Molecular Weight 363.295 g/mol
SMILES CC12CCC3c4ccc(cc4CCC3C2CC(C1=O)Br)OC
SPLASH splash10-03di-1928000000-bd1b84e15aa39f1b3b72
Source of Spectrum EP-1293-0-0
Synonyms 16-Bromo-3-methoxyestra-1,3,5(10)-trien-17-one 16-bromanyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one 16-bromo-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one 16-Bromoestrone 3-methyl ether
Wiley ID 1349515