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METHYL-(4,5,6S)-7-[(1S,2S,3S)-3-HYDROXY-2-[(E)-(3S)-3-HYDROXY-4-PHENOXY-1-BUTENYL]-5-OXOCYClOPENTYL]-4,5-HEPTADIENOATE
SpectraBase Compound ID 4dNuqoNs041
InChI InChI=1S/C23H28O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-20,22,24,26H,8,11-12,15-16H2,1H3/b14-13+/t2?,17-,19+,20+,22+/m0/s1
InChIKey PTOJVMZPWPAXER-QHKYJUCBSA-N
Mol Weight 400.47 g/mol
Molecular Formula C23H28O6
Exact Mass 400.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ErgO844msiJ
Name METHYL-(4,5,6S)-7-[(1S,2S,3S)-3-HYDROXY-2-[(E)-(3S)-3-HYDROXY-4-PHENOXY-1-BUTENYL]-5-OXOCYClOPENTYL]-4,5-HEPTADIENOATE
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28O6
InChI InChI=1S/C23H28O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-20,22,24,26H,8,11-12,15-16H2,1H3/b14-13+/t2?,17-,19+,20+,22+/m0/s1
InChIKey PTOJVMZPWPAXER-QHKYJUCBSA-N
Literature Reference Author G.F.COOPER,D.L.WREN,D.Y.JACKSON,C.C.BEARD,E.GALEAZZI,A.R.VAN HORN,T.T.LI
Literature Reference Citation J.ORG.CHEM.,58,4280(1993)
Literature Reference DOI 10.1021/jo00068a023
Molecular Weight 400.472 g/mol
Solvent CDCl3
Source File Reference UWGE2040