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2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-(5-hydroxy-4-methyl-2-hexenyl) -2H-pyran-2-yl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.(2E,4S*,5R*)]]-
SpectraBase Compound ID KMUZRy9SmaQ
InChI InChI=1S/C17H28O6/c1-10(8-15(19)20)7-14-17(22)16(21)13(9-23-14)6-4-5-11(2)12(3)18/h4-5,8,11-14,16-18,21-22H,6-7,9H2,1-3H3,(H,19,20)/b5-4+,10-8+/t11?,12?,13-,14+,16+,17-/m1/s1
InChIKey GETUJPIVDXUDFU-FSTYDNPUSA-N
Mol Weight 328.4 g/mol
Molecular Formula C17H28O6
Exact Mass 328.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdBT2vZPEp8
Name 2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-(5-hydroxy-4-methyl-2-hexenyl) -2H-pyran-2-yl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.(2E,4S*,5R*)]]-
CAS Registry Number 73611-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O6
InChI InChI=1S/C17H28O6/c1-10(8-15(19)20)7-14-17(22)16(21)13(9-23-14)6-4-5-11(2)12(3)18/h4-5,8,11-14,16-18,21-22H,6-7,9H2,1-3H3,(H,19,20)/b5-4+,10-8+/t11?,12?,13-,14+,16+,17-/m1/s1
InChIKey GETUJPIVDXUDFU-FSTYDNPUSA-N
Molecular Weight 328.405 g/mol
SMILES O[C@]1([C@@](CO[C@]([C@]1(O)[H])(C\C(=C\C(=O)O)C)[H])(C\C=C\C(C(O)C)C)[H])[H]
SPLASH splash10-014i-0960000000-83c14f39a9fe1f928aab
Source of Spectrum KC-1982-2831-0
Synonyms (2E)-5,9-anhydro-2,3,4,8-tetradeoxy-8-[(2E)-5-hydroxy-4-methyl-2-hexenyl]-3-methyl-D-galacto-non-2-enonic acid Monic acid C
Wiley ID 1326143