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REL-(2-R,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

View entire compound with spectra: 2 NMR

REL-(2-R,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 G1c2DBhR3Vr
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-/m1/s1
InChIKey QJAADOOUBYVOJO-AQXIMQTBSA-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 PvQ6MqF9v4
Name REL-(2-R,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 36B
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-/m1/s1
InChIKey QJAADOOUBYVOJO-AQXIMQTBSA-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 39507
Solvent CDCl3