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Estra-1,3,5(10),8-tetraen-17-one, 3-methoxy-
SpectraBase Compound ID 6C9MLTeWc21
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/h4,6,11,17H,3,5,7-10H2,1-2H3
InChIKey OPWFBDDCTNOIJT-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 30ha2KIcbPN
Name Estra-1,3,5(10),8-tetraen-17-one, 3-methoxy-
CAS Registry Number 6885-44-5
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/h4,6,11,17H,3,5,7-10H2,1-2H3
InChIKey OPWFBDDCTNOIJT-UHFFFAOYSA-N
Molecular Weight 282.383 g/mol
SMILES CC12CCC=3c4ccc(cc4CCC3C1CCC2=O)OC
SPLASH splash10-001i-0790000000-5d9182299030ceb0657f
Source of Spectrum DE-0-63-0
Synonyms 3-Methoxyestra-1,3,5(10),8-tetraen-17-one 3-Methoxy-13-methyl-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one 3-O-Methyl-8,9-didehydroestrone 8,9-Didehydroestrone 3-methyl ether 8,9-Didehydroestrone methyl ether
Wiley ID 143636