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3-METHOXYOESTRA-1,3,5(10),9(11)-TETRAEN-17-ONE
SpectraBase Compound ID HyujTV8Te9K
InChI InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,9,11,16-17H,3,5,7-8,10H2,1-2H3
InChIKey AGAVSENPCRLEAB-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C19H22O2
Exact Mass 282.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1K652mRlrku
Name Estra-1,3,5(10),9(11)-tetraen-17-one, 3-methoxy-
Alternate Name(s) 3-Methoxyestra-1,3,5(10),9(11)-tetraen-17-one .delta.9,11-1-Methylestrone 3-methyl ether 3-Methoxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one 9,11-Didehydroestrone 3-methyl ether
CAS Registry Number 1670-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O2
InChI InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,9,11,16-17H,3,5,7-8,10H2,1-2H3
InChIKey AGAVSENPCRLEAB-UHFFFAOYSA-N
Molecular Weight 282.383 g/mol
SMILES CC12CC=C3c4ccc(cc4CCC3C1CCC2=O)OC
SPLASH splash10-001i-1390000000-7b61f927bdcccbfaded6
Source of Spectrum SD-1981-0-0
Wiley ID 41382