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3-HYDROXY-6-OXAESTRA-1,3,5(10)-TRIEN-17-ONE-(6-OXAESTRONE)
SpectraBase Compound ID rXvGetuLLk
InChI InChI=1S/C17H20O3/c1-17-7-6-11-12-3-2-10(18)8-15(12)20-9-13(11)14(17)4-5-16(17)19/h2-3,8,11,13-14,18H,4-7,9H2,1H3/t11-,13-,14+,17?/m1/s1
InChIKey QDTVCCUKAKYNDR-ZVEKRUBGSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8AP9j2v14Dm
Name 3-HYDROXY-6-OXAESTRA-1,3,5(10)-TRIEN-17-ONE-(6-OXAESTRONE)
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-17-7-6-11-12-3-2-10(18)8-15(12)20-9-13(11)14(17)4-5-16(17)19/h2-3,8,11,13-14,18H,4-7,9H2,1H3/t11-,13-,14+,17?/m1/s1
InChIKey QDTVCCUKAKYNDR-ZVEKRUBGSA-N
Literature Reference Author Z.CAO,J.G.LIEHR
Literature Reference Citation J.CHEM.SOC.PERKIN-1,841(1996)
Literature Reference DOI 10.1039/p19960000841
Molecular Weight 272.344 g/mol
Solvent CDCl3
Source File Reference WANG2021