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REL-(2-S,3A-S,4-R,6-R)-4-BENZOYLOXY-6-[(1-S,2-R)-(2-PHENYLCYCLOHEXYL)-OXY]-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE-2-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID 9RSNGWxeGvA
InChI InChI=1S/C27H31NO7/c1-31-27(30)24-16-21-23(33-26(29)19-12-6-3-7-13-19)17-25(35-28(21)34-24)32-22-15-9-8-14-20(22)18-10-4-2-5-11-18/h2-7,10-13,20-25H,8-9,14-17H2,1H3/t20-,21+,22+,23-,24+,25-/m1/s1
InChIKey RJMMBHGTWVXPQC-YDBZGQDJSA-N
Mol Weight 481.55 g/mol
Molecular Formula C27H31NO7
Exact Mass 481.210052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dl5eNX9AtCm
Name REL-(2-S,3A-S,4-R,6-R)-4-BENZOYLOXY-6-[(1-S,2-R)-(2-PHENYLCYCLOHEXYL)-OXY]-HEXAHYDROISOXAZOLO-[2,3-B]-[1,2]-OXAZINE-2-CARBOXYLIC-ACID-METHYLESTER
Compound Number 30A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H31NO7
InChI InChI=1S/C27H31NO7/c1-31-27(30)24-16-21-23(33-26(29)19-12-6-3-7-13-19)17-25(35-28(21)34-24)32-22-15-9-8-14-20(22)18-10-4-2-5-11-18/h2-7,10-13,20-25H,8-9,14-17H2,1H3/t20-,21+,22+,23-,24+,25-/m1/s1
InChIKey RJMMBHGTWVXPQC-YDBZGQDJSA-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 481.546 g/mol
Sample ID 39497
Solvent CDCl3