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REL-(2-S,3A-S,4-R,6-R)-4-BENZOYLOXY-2-HYDROXYMETHYL-6-[(1-S,2-R)-(2-PHENYLCYCLOHEXYL)-OXY]-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE
SpectraBase Compound ID 4vrKdmG1czz
InChI InChI=1S/C26H31NO6/c28-17-20-15-22-24(31-26(29)19-11-5-2-6-12-19)16-25(33-27(22)32-20)30-23-14-8-7-13-21(23)18-9-3-1-4-10-18/h1-6,9-12,20-25,28H,7-8,13-17H2/t20-,21+,22-,23-,24+,25+/m0/s1
InChIKey QJAADOOUBYVOJO-YCBFDDBMSA-N
Mol Weight 453.54 g/mol
Molecular Formula C26H31NO6
Exact Mass 453.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49mpqEk3HET
Name REL-(2-S,3A-S,4-R,6-R)-4-BENZOYLOXY-2-HYDROXYMETHYL-6-[(1-S,2-R)-(2-PHENYLCYCLOHEXYL)-OXY]-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE
Compound Number 36A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H31NO6
InChI InChI=1S/C26H31NO6/c28-17-20-15-22-24(31-26(29)19-11-5-2-6-12-19)16-25(33-27(22)32-20)30-23-14-8-7-13-21(23)18-9-3-1-4-10-18/h1-6,9-12,20-25,28H,7-8,13-17H2/t20-,21+,22-,23-,24+,25+/m0/s1
InChIKey QJAADOOUBYVOJO-YCBFDDBMSA-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 453.535 g/mol
Sample ID 39506
Solvent CDCl3