John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2oIB2UXaF6U SpectraBase Spectrum ID=1KA4KgYIGBJ

(accessed ).
2-(6'-CARBOMETHOXYHEXYL)-3-(E-1''-OCTEN-6''-OLYL)-4-HYDROXY-CYCLOPENTANONE;(15-DEOXY-18-HYDROXY-PGE-1)
SpectraBase Compound ID 2oIB2UXaF6U
InChI InChI=1S/C21H36O5/c1-3-16(22)11-7-6-9-13-18-17(19(23)15-20(18)24)12-8-4-5-10-14-21(25)26-2/h9,13,16-18,20,22,24H,3-8,10-12,14-15H2,1-2H3/b13-9+/t16-,17-,18-,20-/m1/s1
InChIKey IVQAJPUUIFQBGW-MKFBDIFTSA-N
Mol Weight 368.5 g/mol
Molecular Formula C21H36O5
Exact Mass 368.256275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1KA4KgYIGBJ
Name 2-(6'-CARBOMETHOXYHEXYL)-3-(E-1''-OCTEN-6''-OLYL)-4-HYDROXY-CYCLOPENTANONE;(15-DEOXY-18-HYDROXY-PGE-1)
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O5
InChI InChI=1S/C21H36O5/c1-3-16(22)11-7-6-9-13-18-17(19(23)15-20(18)24)12-8-4-5-10-14-21(25)26-2/h9,13,16-18,20,22,24H,3-8,10-12,14-15H2,1-2H3/b13-9+/t16-,17-,18-,20-/m1/s1
InChIKey IVQAJPUUIFQBGW-MKFBDIFTSA-N
Literature Reference Author H.L.HOLLAND,F.M.BROWN,P.C.CHENCHAIAH,J.A.RAO
Literature Reference Citation CAN.J.CHEM.,68,282(1990)
Literature Reference DOI 10.1139/v90-039
Molecular Weight 368.514 g/mol
Solvent CDCl3
Source File Reference UWED15062
SpectraBase Batch ID 98adfuHovUY