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(2S,5S,6R,7R,8R,E)-BENZYL-6,7,9-TRIS-(BENZYLOXY)-2-(TERT.-BUTOXYCABONYLAMINO)-5,8-DIHYDROXYNON-3-ENOATE
SpectraBase Compound ID 1MKIQQdMXHl
InChI InChI=1S/C42H49NO9/c1-42(2,3)52-41(47)43-35(40(46)51-29-34-22-14-7-15-23-34)24-25-36(44)38(49-27-32-18-10-5-11-19-32)39(50-28-33-20-12-6-13-21-33)37(45)30-48-26-31-16-8-4-9-17-31/h4-25,35-39,44-45H,26-30H2,1-3H3,(H,43,47)/b25-24+/t35-,36+,37-,38-,39-/m0/s1
InChIKey FIXALBIESHXPRG-GQYPBOCPSA-N
Mol Weight 711.9 g/mol
Molecular Formula C42H49NO9
Exact Mass 711.340732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D6sNAMFQrti
Name (2S,5S,6R,7R,8R,E)-BENZYL-6,7,9-TRIS-(BENZYLOXY)-2-(TERT.-BUTOXYCABONYLAMINO)-5,8-DIHYDROXYNON-3-ENOATE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H49NO9
InChI InChI=1S/C42H49NO9/c1-42(2,3)52-41(47)43-35(40(46)51-29-34-22-14-7-15-23-34)24-25-36(44)38(49-27-32-18-10-5-11-19-32)39(50-28-33-20-12-6-13-21-33)37(45)30-48-26-31-16-8-4-9-17-31/h4-25,35-39,44-45H,26-30H2,1-3H3,(H,43,47)/b25-24+/t35-,36+,37-,38-,39-/m0/s1
InChIKey FIXALBIESHXPRG-GQYPBOCPSA-N
Literature Reference Author E.G.NOLEN,A.J.KURISH,J.M.POTTER,L.A.DONAHUE,M.D.ORLANDO
Literature Reference Citation ORG.LETTERS,7,3383(2005)
Literature Reference DOI 10.1021/ol051341q
Molecular Weight 711.852 g/mol
Sample ID 57615
Solvent CDCl3