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Benzoic acid, 2-[3-methyl-1-oxo-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-2-butenyl]hydrazide, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
SpectraBase Compound ID 1hwkHEL55Du
InChI InChI=1S/C24H34N2O7/c1-13(10-20(28)25-26-24(31)16-7-5-4-6-8-16)9-18-22(30)21(29)17(12-32-18)11-19-23(33-19)14(2)15(3)27/h4-8,10,14-15,17-19,21-23,27,29-30H,9,11-12H2,1-3H3,(H,25,28)(H,26,31)/b13-10+/t14-,15?,17+,18+,19?,21-,22+,23?/m0/s1
InChIKey QXBJPAXZJRSTSG-FXYUGAMGSA-N
Mol Weight 462.5 g/mol
Molecular Formula C24H34N2O7
Exact Mass 462.236601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1a3cl71GZh
Name Benzoic acid, 2-[3-methyl-1-oxo-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-2-butenyl]hydrazide, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
CAS Registry Number 127862-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34N2O7
InChI InChI=1S/C24H34N2O7/c1-13(10-20(28)25-26-24(31)16-7-5-4-6-8-16)9-18-22(30)21(29)17(12-32-18)11-19-23(33-19)14(2)15(3)27/h4-8,10,14-15,17-19,21-23,27,29-30H,9,11-12H2,1-3H3,(H,25,28)(H,26,31)/b13-10+/t14-,15?,17+,18+,19?,21-,22+,23?/m0/s1
InChIKey QXBJPAXZJRSTSG-FXYUGAMGSA-N
Molecular Weight 462.543 g/mol
SMILES OC([C@@](C1OC1C[C@@]1(CO[C@@]([C@]([C@]1(O)[H])(O)[H])(C\C(=C\C(NNC(=O)c1ccccc1)=O)C)[H])[H])(C)[H])C
SPLASH splash10-0a4i-0901000000-d97bafc23bdec6768865
Source of Spectrum KC-1989-2051-1
Synonyms 4.beta.,5.beta.-dihydroxy-3.alpha.-(5'.beta.-hydroxy-4'.alpha.methyl-2'.beta.,3'.beta.-epoxy-hexyl)-6.alpha.-[4'-benzoylhydrazino-4'-oxo-2-methylbut-2-enyl]-tetrahydropyran N'-[(2E)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]-3-methylbut-2-enoyl]benzohydrazide N-Benzoylmonohydrazide
Wiley ID 1391026