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#11;(2S,3S,3AS,4AS,5R,8S,8AR,2'R,1''E)-2-(2'-PHENYLMETHYLOXYTRIDECYL)-3-(1''-HEXENYL)-5,10,10-TRIMETHYL-5,8-METHANO-OCTAHYDRO-2H-ISOXAZOLO-[3,2-B]-BENZOXAZOLE

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#11;(2S,3S,3AS,4AS,5R,8S,8AR,2'R,1''E)-2-(2'-PHENYLMETHYLOXYTRIDECYL)-3-(1''-HEXENYL)-5,10,10-TRIMETHYL-5,8-METHANO-OCTAHYDRO-2H-ISOXAZOLO-[3,2-B]-BENZOXAZOLE
SpectraBase Compound ID IcVfWaTke9Y
InChI InChI=1S/C39H63NO3/c1-6-8-10-12-13-14-15-16-20-24-31(41-29-30-22-18-17-19-23-30)28-34-32(25-21-11-9-7-2)37-40(43-34)35-33-26-27-39(5,36(35)42-37)38(33,3)4/h17-19,21-23,25,31-37H,6-16,20,24,26-29H2,1-5H3/b25-21+/t31-,32+,33+,34+,35+,36+,37+,39-/m1/s1
InChIKey HBNJLKRSCAATCQ-OLBBJWMBSA-N
Mol Weight 593.9 g/mol
Molecular Formula C39H63NO3
Exact Mass 593.480795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3rx8OAAWkd8
Name #11;(2S,3S,3AS,4AS,5R,8S,8AR,2'R,1''E)-2-(2'-PHENYLMETHYLOXYTRIDECYL)-3-(1''-HEXENYL)-5,10,10-TRIMETHYL-5,8-METHANO-OCTAHYDRO-2H-ISOXAZOLO-[3,2-B]-BENZOXAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H63NO3
InChI InChI=1S/C39H63NO3/c1-6-8-10-12-13-14-15-16-20-24-31(41-29-30-22-18-17-19-23-30)28-34-32(25-21-11-9-7-2)37-40(43-34)35-33-26-27-39(5,36(35)42-37)38(33,3)4/h17-19,21-23,25,31-37H,6-16,20,24,26-29H2,1-5H3/b25-21+/t31-,32+,33+,34+,35+,36+,37+,39-/m1/s1
InChIKey HBNJLKRSCAATCQ-OLBBJWMBSA-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 593.934 g/mol
Solvent CDCl3
Source File Reference UWSI26280