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2-Butenamide, 3-methyl-N-(2-oxo-2-phenylethyl)-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
SpectraBase Compound ID JlNUMD7Sbwd
InChI InChI=1S/C25H35NO7/c1-14(10-22(29)26-12-19(28)17-7-5-4-6-8-17)9-20-24(31)23(30)18(13-32-20)11-21-25(33-21)15(2)16(3)27/h4-8,10,15-16,18,20-21,23-25,27,30-31H,9,11-13H2,1-3H3,(H,26,29)/b14-10+/t15-,16?,18+,20-,21?,23-,24+,25?/m0/s1
InChIKey AVTTZUMGEHVDDM-GDMNRFKBSA-N
Mol Weight 461.6 g/mol
Molecular Formula C25H35NO7
Exact Mass 461.241352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZjUS23qcKl
Name 2-Butenamide, 3-methyl-N-(2-oxo-2-phenylethyl)-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
CAS Registry Number 89109-34-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35NO7
InChI InChI=1S/C25H35NO7/c1-14(10-22(29)26-12-19(28)17-7-5-4-6-8-17)9-20-24(31)23(30)18(13-32-20)11-21-25(33-21)15(2)16(3)27/h4-8,10,15-16,18,20-21,23-25,27,30-31H,9,11-13H2,1-3H3,(H,26,29)/b14-10+/t15-,16?,18+,20-,21?,23-,24+,25?/m0/s1
InChIKey AVTTZUMGEHVDDM-GDMNRFKBSA-N
Molecular Weight 461.555 g/mol
SMILES OC([C@@](C1OC1C[C@@]1(CO[C@]([C@]([C@]1(O)[H])(O)[H])(C\C(=C\C(NCC(=O)c1ccccc1)=O)C)[H])[H])(C)[H])C
SPLASH splash10-00kr-0981100000-642ea7425addb5c7320a
Source of Spectrum KC-1989-2051-1
Synonyms (2E)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]-3-methyl-N-(2-oxo-2-phenylethyl)but-2-enamide Phenacylmonamide
Wiley ID 1390786