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METHYL-(12R)-BENZOYLOXY-(5S)-HYDROXY-ICOSA-(8E,10E)-DIENE-6,14-DIYNOATE
SpectraBase Compound ID Gcl0wBBhcfz
InChI InChI=1S/C28H34O5/c1-3-4-5-6-7-14-21-26(33-28(31)24-17-11-10-12-18-24)22-15-9-8-13-19-25(29)20-16-23-27(30)32-2/h8-12,15,17-18,22,25-26,29H,3-6,16,20-21,23H2,1-2H3/b9-8+,22-15+/t25-,26+/m1/s1
InChIKey ADMBTNZMUZNRTD-IVAGAUGMSA-N
Mol Weight 450.6 g/mol
Molecular Formula C28H34O5
Exact Mass 450.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ggw2IRq3AYx
Name METHYL-(12R)-BENZOYLOXY-(5S)-HYDROXY-ICOSA-(8E,10E)-DIENE-6,14-DIYNOATE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O5
InChI InChI=1S/C28H34O5/c1-3-4-5-6-7-14-21-26(33-28(31)24-17-11-10-12-18-24)22-15-9-8-13-19-25(29)20-16-23-27(30)32-2/h8-12,15,17-18,22,25-26,29H,3-6,16,20-21,23H2,1-2H3/b9-8+,22-15+/t25-,26+/m1/s1
InChIKey ADMBTNZMUZNRTD-IVAGAUGMSA-N
Literature Reference Author R.PONTIKIS,A.MUSCI,Y.LEMERRER,J.C.DEPEZAY
Literature Reference Citation BULL.SOC.CHIM.FR.,128,968(1991)
Molecular Weight 450.575 g/mol
Solvent CDCl3
Source File Reference UWPR304