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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 4XY5PsBXglU
Name 3-Hydroxy-estra-1,3,5(10)-trien-17-one
CAS Registry Number 53-16-7
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian HA-100
Literature Reference T.A. Wittstruck, K.I. Williams, J. Org. Chem. 38, 1542 (1973).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Dioxane