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3-Hydroxy-estra-1,3,5(10)-trien-16,17-dione

View entire compound with spectra: 2 NMR, and 1 MS (GC)

3-Hydroxy-estra-1,3,5(10)-trien-16,17-dione
SpectraBase Compound ID 3f7WPQ3dqsk
InChI InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3
InChIKey ANPHVANSJXDRTP-UHFFFAOYSA-N
Mol Weight 284.36 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kywtk6lbPWa
Name 3-HYDROXYESTRA-1,3,5(10)-TRIEN-16,17-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3
InChIKey ANPHVANSJXDRTP-UHFFFAOYSA-N
Literature Reference Author T.A.WITTSTRUCK,K.I.H.WILLIAMS
Literature Reference Citation J.ORG.CHEM.,38,1542(1973)
Literature Reference DOI 10.1021/jo00948a020
Molecular Weight 284.355 g/mol
Solvent DIOXANE
Source File Reference UNIW11539