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REL-(3A-S/R,3B-S,4R,6R,9A-R/S)-4-BENZOYLOXY-6-BUTYLOXYOCTAHYDRO-(FURO-[1,2-D]-ISOXAZOLO)-[4,5-B]-[1,2]-OXAZINE;MIXTURE

View entire compound with spectra: 1 NMR

REL-(3A-S/R,3B-S,4R,6R,9A-R/S)-4-BENZOYLOXY-6-BUTYLOXYOCTAHYDRO-(FURO-[1,2-D]-ISOXAZOLO)-[4,5-B]-[1,2]-OXAZINE;MIXTURE
SpectraBase Compound ID C6rcyB6mWXW
InChI InChI=1S/2C19H25NO6/c2*1-2-3-10-22-16-12-15(24-18(21)13-7-5-4-6-8-13)17-14-9-11-23-19(14)26-20(17)25-16/h2*4-8,14-17,19H,2-3,9-12H2,1H3/t14-,15+,16+,17-,19+;14-,15-,16-,17+,19+/m01/s1
InChIKey QPSLLLRTYJHRFT-PBWXUHSPSA-N
Mol Weight 726.82 g/mol
Molecular Formula C38H50N2O12
Exact Mass 726.336375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBMC4i1sgYZ
Name REL-(3A-S/R,3B-S,4R,6R,9A-R/S)-4-BENZOYLOXY-6-BUTYLOXYOCTAHYDRO-(FURO-[1,2-D]-ISOXAZOLO)-[4,5-B]-[1,2]-OXAZINE;MIXTURE
Compound Number 48A/B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H50N2O12
InChI InChI=1S/2C19H25NO6/c2*1-2-3-10-22-16-12-15(24-18(21)13-7-5-4-6-8-13)17-14-9-11-23-19(14)26-20(17)25-16/h2*4-8,14-17,19H,2-3,9-12H2,1H3/t14-,15+,16+,17-,19+;14-,15-,16-,17+,19+/m01/s1
InChIKey QPSLLLRTYJHRFT-PBWXUHSPSA-N
Literature Reference Author S.E.DENMARK,M.SEIERSTAD,B.HERBERT
Literature Reference Citation J.ORG.CHEM.,64,884(1999)
Literature Reference DOI 10.1021/jo9818374
Molecular Weight 726.821 g/mol
Sample ID 39524
Solvent CDCl3