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6,17-Dioxoestra-1,3,5(10)-trien-3-yl acetate
SpectraBase Compound ID FdWO28eaoAc
InChI InChI=1S/C20H22O4/c1-11(21)24-12-3-4-13-14-7-8-20(2)17(5-6-19(20)23)15(14)10-18(22)16(13)9-12/h3-4,9,14-15,17H,5-8,10H2,1-2H3
InChIKey AEDBWXZHICCQMQ-UHFFFAOYSA-N
Mol Weight 326.39 g/mol
Molecular Formula C20H22O4
Exact Mass 326.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uzO2Ww9zeb
Name 6,17-Dioxoestra-1,3,5(10)-trien-3-yl acetate
CAS Registry Number 7323-89-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O4
InChI InChI=1S/C20H22O4/c1-11(21)24-12-3-4-13-14-7-8-20(2)17(5-6-19(20)23)15(14)10-18(22)16(13)9-12/h3-4,9,14-15,17H,5-8,10H2,1-2H3
InChIKey AEDBWXZHICCQMQ-UHFFFAOYSA-N
Molecular Weight 326.392 g/mol
SMILES CC(=O)Oc1ccc2c(c1)C(CC1C2CCC2(C)C1CCC2=O)=O
SPLASH splash10-001i-0290000000-4891b215da31fbebebfa
Source of Spectrum W5-0-0-0
Synonyms (13-methyl-6,17-dioxo-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl) acetate Acetic acid (13-methyl-6,17-dioxo-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl) ester Acetic acid (6,17-diketo-13-methyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl) ester Estra-1,3,5(10)-triene-6,17-dione, 3-(acetyloxy)-
Wiley ID 1324950