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Allyl (5R,6R.7R,8R)-8-tosyloxy-6-methyl-7-hydroxy-5-[N-1-oxo-4-methyl-2-[3-(N-tert-butoxycarbonyl)-2-methylprop-2-ylcarbonyloxy)pentylamido]-8-phenyloct-2(E)-enoate

View entire compound with spectra: 1 MS (GC)

Allyl (5R,6R.7R,8R)-8-tosyloxy-6-methyl-7-hydroxy-5-[N-1-oxo-4-methyl-2-[3-(N-tert-butoxycarbonyl)-2-methylprop-2-ylcarbonyloxy)pentylamido]-8-phenyloct-2(E)-enoate
SpectraBase Compound ID F6l182HMcG0
InChI InChI=1S/C39H64N2O9Si/c1-14-23-47-32(42)22-18-21-30(28(5)33(43)34(29-19-16-15-17-20-29)50-51(12,13)39(9,10)11)41-35(44)31(24-26(2)3)48-36(45)27(4)25-40-37(46)49-38(6,7)8/h14-20,22,26-28,30-31,33-34,43H,1,21,23-25H2,2-13H3,(H,40,46)(H,41,44)/b22-18+/t27-,28+,30+,31+,33-,34-/m1/s1
InChIKey WDTYVLRECOMFIU-AWHDZQDVSA-N
Mol Weight 733.0 g/mol
Molecular Formula C39H64N2O9Si
Exact Mass 732.438108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrVqoilGBo6
Name Allyl (5R,6R.7R,8R)-8-tosyloxy-6-methyl-7-hydroxy-5-[N-1-oxo-4-methyl-2-[3-(N-tert-butoxycarbonyl)-2-methylprop-2-ylcarbonyloxy)pentylamido]-8-phenyloct-2(E)-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H64N2O9Si
InChI InChI=1S/C39H64N2O9Si/c1-14-23-47-32(42)22-18-21-30(28(5)33(43)34(29-19-16-15-17-20-29)50-51(12,13)39(9,10)11)41-35(44)31(24-26(2)3)48-36(45)27(4)25-40-37(46)49-38(6,7)8/h14-20,22,26-28,30-31,33-34,43H,1,21,23-25H2,2-13H3,(H,40,46)(H,41,44)/b22-18+/t27-,28+,30+,31+,33-,34-/m1/s1
InChIKey WDTYVLRECOMFIU-AWHDZQDVSA-N
Molecular Weight 733.031 g/mol
SMILES N(C([C@@](OC([C@@](CNC(OC(C)(C)C)=O)(C)[H])=O)(CC(C)C)[H])=O)[C@]([C@@]([C@]([C@](O[Si](C(C)(C)C)(C)C)(c1ccccc1)[H])(O)[H])(C)[H])(C\C=C\C(=O)OCC=C)[H]
SPLASH splash10-004i-9430210000-b7bbc9f5d11ac4ab6fde
Source of Spectrum F-56-3348-23
Synonyms (E,5S,6S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methyl-5-[[(2S)-4-methyl-2-[(2R)-2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropoxy]-1-oxopentyl]amino]-8-phenyl-2-octenoic acid prop-2-enyl ester Prop-2-enyl (E,5S,6S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methyl-5-[[(2S)-4-methyl-2-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxypentanoyl]amino]-8-phenyloct-2-enoate Allyl (E,5S,6S,7R,8R)-5-[[(2S)-2-[(2R)-3-(tert-butoxycarbonylamino)-2-methyl-propanoyl]oxy-4-methyl-pentanoyl]amino]-8-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methyl-8-phenyl-oct-2-enoate Prop-2-enyl (E,5S,6S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-5-[[(2S)-4-methyl-2-[(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-pentanoyl]amino]-7-oxidanyl-8-phenyl-oct-2-enoate
Wiley ID 857079