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#32;REL-(2-S,3A-S,4-R,6-R)/(2-R,3A-S,4-R,6-R)-4-BENZOYLOXY-6-[(1-S,2-R)-(2-PHENYLCYCLOHEXYL)-OXY]-2-(1-OXOETHXL)-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE;MIXTU

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#32;REL-(2-S,3A-S,4-R,6-R)/(2-R,3A-S,4-R,6-R)-4-BENZOYLOXY-6-[(1-S,2-R)-(2-PHENYLCYCLOHEXYL)-OXY]-2-(1-OXOETHXL)-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE;MIXTU
SpectraBase Compound ID GsLzMW9XGcX
InChI InChI=1S/2C27H31NO6/c2*1-18(29)24-16-22-25(32-27(30)20-12-6-3-7-13-20)17-26(34-28(22)33-24)31-23-15-9-8-14-21(23)19-10-4-2-5-11-19/h2*2-7,10-13,21-26H,8-9,14-17H2,1H3/t21-,22+,23+,24+,25-,26-;21-,22+,23+,24-,25-,26-/m11/s1
InChIKey GETLOHWFCZONNO-BJQHNMEYSA-N
Mol Weight 931.09 g/mol
Molecular Formula C54H62N2O12
Exact Mass 930.430275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgMkDsZzWh0
Name #32;REL-(2-S,3A-S,4-R,6-R)/(2-R,3A-S,4-R,6-R)-4-BENZOYLOXY-6-[(1-S,2-R)-(2-PHENYLCYCLOHEXYL)-OXY]-2-(1-OXOETHXL)-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE;MIXTU
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H62N2O12
InChI InChI=1S/2C27H31NO6/c2*1-18(29)24-16-22-25(32-27(30)20-12-6-3-7-13-20)17-26(34-28(22)33-24)31-23-15-9-8-14-21(23)19-10-4-2-5-11-19/h2*2-7,10-13,21-26H,8-9,14-17H2,1H3/t21-,22+,23+,24+,25-,26-;21-,22+,23+,24-,25-,26-/m11/s1
InChIKey GETLOHWFCZONNO-BJQHNMEYSA-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 931.092 g/mol
Sample ID 39501
Solvent CDCl3