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[(3R,6R)-3-[(S)-hydroxy-phenylmethyl]-6-[(S)-methylamino-phenylmethyl]-1-cyclohexa-1,4-dienyl]-phenylphosphinic acid
SpectraBase Compound ID 7nBkSi5zHiv
InChI InChI=1S/C27H28NO3P/c1-28-26(20-11-5-2-6-12-20)24-18-17-22(27(29)21-13-7-3-8-14-21)19-25(24)32(30,31)23-15-9-4-10-16-23/h2-19,22,24,26-29H,1H3,(H,30,31)/t22-,24+,26-,27-/m1/s1
InChIKey GIBVPDAPOOZSCA-YLXXEMJTSA-N
Mol Weight 445.5 g/mol
Molecular Formula C27H28NO3P
Exact Mass 445.180681 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WIsXXk2R3p
Name [(3R,6R)-3-[(S)-hydroxy-phenylmethyl]-6-[(S)-methylamino-phenylmethyl]-1-cyclohexa-1,4-dienyl]-phenylphosphinic acid
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H27NO3P
InChI InChI=1S/C27H28NO3P/c1-28-26(20-11-5-2-6-12-20)24-18-17-22(27(29)21-13-7-3-8-14-21)19-25(24)32(30,31)23-15-9-4-10-16-23/h2-19,22,24,26-29H,1H3,(H,30,31)/t22-,24+,26-,27-/m1/s1
InChIKey GIBVPDAPOOZSCA-YLXXEMJTSA-N
Literature Reference Author I.FERNANDEZ,F.L.ORTIZ,B.TEJERINA,S.G.GRANDA
Literature Reference Citation ORG.LETTERS,3,1339(2001)
Literature Reference DOI 10.1021/ol015716t
Solvent CDCl3
Source File Reference UWLU33822