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1,3,5(10)-ESTRATRIEN-17-ALPHA-(E-1'-PHENYLSELENO-2'-CHLOROETHENYL)-3-BETA,17-BETA-DIOL-3-METHYLETHER
SpectraBase Compound ID JlCQPG9Qk5i
InChI InChI=1S/C27H31ClO2Se/c1-26-14-12-22-21-11-9-19(30-2)16-18(21)8-10-23(22)24(26)13-15-27(26,29)25(17-28)31-20-6-4-3-5-7-20/h3-7,9,11,16-17,22-24,29H,8,10,12-15H2,1-2H3/b25-17-
InChIKey KVTLWZXUOVYPGS-UQQQWYQISA-N
Mol Weight 501.97 g/mol
Molecular Formula C27H31ClO2Se
Exact Mass 502.11778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYM1e7QvBwt
Name 1,3,5(10)-ESTRATRIEN-17-ALPHA-(E-1'-PHENYLSELENO-2'-CHLOROETHENYL)-3-BETA,17-BETA-DIOL-3-METHYLETHER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H31ClO2Se
InChI InChI=1S/C27H31ClO2Se/c1-26-14-12-22-21-11-9-19(30-2)16-18(21)8-10-23(22)24(26)13-15-27(26,29)25(17-28)31-20-6-4-3-5-7-20/h3-7,9,11,16-17,22-24,29H,8,10,12-15H2,1-2H3/b25-17-
InChIKey KVTLWZXUOVYPGS-UQQQWYQISA-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 501.955 g/mol
Solvent CDCl3
Source File Reference UWED5690