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#9;(2S,3S,3AS,4AS,5R,8S,8AR,2'R)-2-(2'-PHENYLMETHYLOXY-TRIDECYL)-5,10,10-TRIMETHYL-5,8-METHANO-OCTAHYDRO-2H-ISOXAZOLO-[3,2-B]-BENZOXAZOLE-3-CARBOXALDEHYDE

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#9;(2S,3S,3AS,4AS,5R,8S,8AR,2'R)-2-(2'-PHENYLMETHYLOXY-TRIDECYL)-5,10,10-TRIMETHYL-5,8-METHANO-OCTAHYDRO-2H-ISOXAZOLO-[3,2-B]-BENZOXAZOLE-3-CARBOXALDEHYDE
SpectraBase Compound ID ErcQSnsE69Y
InChI InChI=1S/C34H53NO4/c1-5-6-7-8-9-10-11-12-16-19-26(37-24-25-17-14-13-15-18-25)22-29-27(23-36)32-35(39-29)30-28-20-21-34(4,31(30)38-32)33(28,2)3/h13-15,17-18,23,26-32H,5-12,16,19-22,24H2,1-4H3/t26-,27+,28+,29+,30+,31+,32+,34-/m1/s1
InChIKey OTSDXJTXJPPIHG-NMYJIFOESA-N
Mol Weight 539.8 g/mol
Molecular Formula C34H53NO4
Exact Mass 539.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHiLiF29UPT
Name #9;(2S,3S,3AS,4AS,5R,8S,8AR,2'R)-2-(2'-PHENYLMETHYLOXY-TRIDECYL)-5,10,10-TRIMETHYL-5,8-METHANO-OCTAHYDRO-2H-ISOXAZOLO-[3,2-B]-BENZOXAZOLE-3-CARBOXALDEHYDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H53NO4
InChI InChI=1S/C34H53NO4/c1-5-6-7-8-9-10-11-12-16-19-26(37-24-25-17-14-13-15-18-25)22-29-27(23-36)32-35(39-29)30-28-20-21-34(4,31(30)38-32)33(28,2)3/h13-15,17-18,23,26-32H,5-12,16,19-22,24H2,1-4H3/t26-,27+,28+,29+,30+,31+,32+,34-/m1/s1
InChIKey OTSDXJTXJPPIHG-NMYJIFOESA-N
Literature Reference Author O.DIRAT,C.KOUKLOVSKY,Y.LANGLOIS
Literature Reference Citation ORG.LETTERS,1,753(1999)
Literature Reference DOI 10.1021/ol990734k
Molecular Weight 539.799 g/mol
Solvent CDCl3
Source File Reference UWSI26279