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17-BETA-ETHOXY-ESTRA-1,3,5(10)-TRIEN-3-OL
SpectraBase Compound ID IlzNX5cnPPe
InChI InChI=1S/C20H28O2/c1-3-22-19-9-8-18-17-6-4-13-12-14(21)5-7-15(13)16(17)10-11-20(18,19)2/h5,7,12,16-19,21H,3-4,6,8-11H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey VHQXYHSUVNULEJ-SLHNCBLASA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6vl56mBQ5nh
Name 17-BETA-ETHOXY-ESTRA-1,3,5(10)-TRIEN-3-OL
Compound Number 4 B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-3-22-19-9-8-18-17-6-4-13-12-14(21)5-7-15(13)16(17)10-11-20(18,19)2/h5,7,12,16-19,21H,3-4,6,8-11H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey VHQXYHSUVNULEJ-SLHNCBLASA-N
Literature Reference Author L.PROKAI,S.M.OON,K.PROKAI-TATRAI,K.A.ABBOUD,J.W.SIMPKINS
Literature Reference Citation J.MED.CHEM.,44,110(2001)
Literature Reference DOI 10.1021/jm000280t
Molecular Weight 300.441 g/mol
Sample ID 44303
Solvent CHCl3