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2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[5-(methoxyamino)-4-methyl-2-hexenyl]-2H-pyran-2-yl]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.(2E,4S*,5R*)]]-
SpectraBase Compound ID LPxWGIDfIxI
InChI InChI=1S/C19H33NO6/c1-12(10-17(21)24-4)9-16-19(23)18(22)15(11-26-16)8-6-7-13(2)14(3)20-25-5/h6-7,10,13-16,18-20,22-23H,8-9,11H2,1-5H3/b7-6+,12-10+/t13?,14?,15-,16+,18+,19-/m1/s1
InChIKey AJCSVHDWEOHAAE-UJFBCOBKSA-N
Mol Weight 371.5 g/mol
Molecular Formula C19H33NO6
Exact Mass 371.230788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9xicKxveyz
Name 2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[5-(methoxyamino)-4-methyl-2-hexenyl]-2H-pyran-2-yl]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.(2E,4S*,5R*)]]-
CAS Registry Number 112615-66-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H33NO6
InChI InChI=1S/C19H33NO6/c1-12(10-17(21)24-4)9-16-19(23)18(22)15(11-26-16)8-6-7-13(2)14(3)20-25-5/h6-7,10,13-16,18-20,22-23H,8-9,11H2,1-5H3/b7-6+,12-10+/t13?,14?,15-,16+,18+,19-/m1/s1
InChIKey AJCSVHDWEOHAAE-UJFBCOBKSA-N
Molecular Weight 371.474 g/mol
SMILES O[C@]1([C@@](CO[C@]([C@]1(O)[H])(C\C(=C\C(=O)OC)C)[H])(C\C=C\C(C(NOC)C)C)[H])[H]
SPLASH splash10-00di-9020000000-3573d8873063330ebb4b
Source of Spectrum F-43-2174-2
Synonyms Methyl (2E)-5,9-anhydro-2,3,4,8-tetradeoxy-8-[(2E)-5-(methoxyamino)-4-methyl-2-hexenyl]-3-methyl-D-galacto-non-2-enonate Methyl 4-{(2S,3R,4R,5S)-5-[(4R,5RS)-5-(5'-methoxyamino-4'-methylhex-2'(E)-enyl]-3,4-dihydroxytetrahydropyran-2-yl}-3-methylbut-2(E)-enoate
Wiley ID 1354927