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1,3,5(10)-ESTRATRIEN-17-ALPHA-ETHYNYL-3-BETA,17-BETA-DIOL-3-METHYLETHER
SpectraBase Compound ID 5r7Yroem5A6
InChI InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3
InChIKey IMSSROKUHAOUJS-UHFFFAOYSA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ly2UnYpOQKt
Name 1,3,5(10)-ESTRATRIEN-17-ALPHA-ETHYNYL-3-BETA,17-BETA-DIOL-3-METHYLETHER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O2
InChI InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3
InChIKey IMSSROKUHAOUJS-UHFFFAOYSA-N
Literature Reference Author D.G.GARRATT,P.L.BEAULIEU,V.M.MORISSET
Literature Reference Citation CAN.J.CHEM.,59,927(1981)
Literature Reference DOI 10.1139/v81-134
Molecular Weight 310.436 g/mol
Solvent CDCl3
Source File Reference UWED5686