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3-HYDROXYESTRA-1,3,5(10)-TRIEN-17-ONE,(ESTRONE)

View entire compound with spectra: 11 NMR, and 17 MS (GC)

3-HYDROXYESTRA-1,3,5(10)-TRIEN-17-ONE,(ESTRONE)
SpectraBase Compound ID CZbrDb0KL3w
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3
InChIKey DNXHEGUUPJUMQT-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4bI8723biMK
Name 3-HYDROXYESTRA-1,3,5(10)-TRIEN-17-ONE,(ESTRONE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3
InChIKey DNXHEGUUPJUMQT-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 270.371 g/mol
Solvent DIOXANE
Source File Reference UNIW11541