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TRI-11-EICOSENOIN

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TRI-11-EICOSENOIN
SpectraBase Compound ID 4R0zDfbFtf5
InChI InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,60H,4-24,31-59H2,1-3H3/b28-25+,29-26+,30-27+
InChIKey XKXYLRHFXANGHG-WUOFIQDXSA-N
Mol Weight 969.6 g/mol
Molecular Formula C63H116O6
Exact Mass 968.877191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFBJ0z4xBAF
Name TRI-11-EICOSENOIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H116O6
InChI InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,60H,4-24,31-59H2,1-3H3/b28-25+,29-26+,30-27+
InChIKey XKXYLRHFXANGHG-WUOFIQDXSA-N
Literature Reference Author L.MANNINA,C.LUCHINAT,M.PATUMI,M.C.EMANUELE,E.ROSSI,A.SEGRE
Literature Reference Citation MAGN.RES.CHEM.,38,886(2000)
Literature Reference DOI 10.1002/1097-458x(200010)38:10<886::aid-mrc738>3.0.co;2-j
Molecular Weight 969.610 g/mol
Solvent CDCl3
Source File Reference UWSI3529