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#31B;REL-(2-R,3A-S,4-R,6-R)-4-BENZOYLOXY-6-[(1S,2R)-(2-PHENYLCYCLOHEXYL)-OXY]-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE-2-CARBOXYLIC-ACID-1,1-DIMETHYLETHYLESTER

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#31B;REL-(2-R,3A-S,4-R,6-R)-4-BENZOYLOXY-6-[(1S,2R)-(2-PHENYLCYCLOHEXYL)-OXY]-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE-2-CARBOXYLIC-ACID-1,1-DIMETHYLETHYLESTER
SpectraBase Compound ID 7ttekNmS7fo
InChI InChI=1S/C30H37NO7/c1-30(2,3)36-29(33)26-18-23-25(35-28(32)21-14-8-5-9-15-21)19-27(38-31(23)37-26)34-24-17-11-10-16-22(24)20-12-6-4-7-13-20/h4-9,12-15,22-27H,10-11,16-19H2,1-3H3/t22-,23+,24+,25-,26-,27-/m1/s1
InChIKey RQVHKBZOZGYPIH-WNJOOUCCSA-N
Mol Weight 523.6 g/mol
Molecular Formula C30H37NO7
Exact Mass 523.257003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1AUNXDSlc22
Name #31B;REL-(2-R,3A-S,4-R,6-R)-4-BENZOYLOXY-6-[(1S,2R)-(2-PHENYLCYCLOHEXYL)-OXY]-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE-2-CARBOXYLIC-ACID-1,1-DIMETHYLETHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H37NO7
InChI InChI=1S/C30H37NO7/c1-30(2,3)36-29(33)26-18-23-25(35-28(32)21-14-8-5-9-15-21)19-27(38-31(23)37-26)34-24-17-11-10-16-22(24)20-12-6-4-7-13-20/h4-9,12-15,22-27H,10-11,16-19H2,1-3H3/t22-,23+,24+,25-,26-,27-/m1/s1
InChIKey RQVHKBZOZGYPIH-WNJOOUCCSA-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 523.626 g/mol
Sample ID 39500
Solvent CDCl3