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2-Butenamide, N-(2-aminophenyl)-3-methyl-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 IwaLLJB1W4E
InChI InChI=1S/C23H34N2O6/c1-12(9-20(27)25-17-7-5-4-6-16(17)24)8-18-22(29)21(28)15(11-30-18)10-19-23(31-19)13(2)14(3)26/h4-7,9,13-15,18-19,21-23,26,28-29H,8,10-11,24H2,1-3H3,(H,25,27)/b12-9+/t13-,14?,15+,18-,19?,21-,22+,23?/m0/s1
InChIKey UIBMVAOZPKBSMU-RSOMHZKMSA-N
Mol Weight 434.5 g/mol
Molecular Formula C23H34N2O6
Exact Mass 434.241687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNwhRVVmf7p
Name 2-Butenamide, N-(2-aminophenyl)-3-methyl-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 127862-30-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34N2O6
InChI InChI=1S/C23H34N2O6/c1-12(9-20(27)25-17-7-5-4-6-16(17)24)8-18-22(29)21(28)15(11-30-18)10-19-23(31-19)13(2)14(3)26/h4-7,9,13-15,18-19,21-23,26,28-29H,8,10-11,24H2,1-3H3,(H,25,27)/b12-9+/t13-,14?,15+,18-,19?,21-,22+,23?/m0/s1
InChIKey UIBMVAOZPKBSMU-RSOMHZKMSA-N
Molecular Weight 434.533 g/mol
SMILES OC([C@@](C1OC1C[C@@]1(CO[C@]([C@]([C@]1(O)[H])(O)[H])(C\C(=C\C(Nc1c(cccc1)N)=O)C)[H])[H])(C)[H])C
SPLASH splash10-0a4i-0900100000-10c46392c6786f2cbf35
Source of Spectrum KC-1989-2051-1
Synonyms (2E)-N-(2-aminophenyl)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]-3-methylbut-2-enamide O-aminophenylmonamide
Wiley ID 1382920