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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]-, methyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.(2E,4S*,5R*)]]-
SpectraBase Compound ID DpOOj9SGDFi
InChI InChI=1S/C18H30O6/c1-11(9-16(20)23-4)8-15-18(22)17(21)14(10-24-15)7-5-6-12(2)13(3)19/h5-6,9,12-15,17-19,21-22H,7-8,10H2,1-4H3/b6-5+,11-9+/t12?,13?,14-,15+,17+,18-/m1/s1
InChIKey NSDBDDRHDQRXGR-IVQWCRKZSA-N
Mol Weight 342.43 g/mol
Molecular Formula C18H30O6
Exact Mass 342.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26kukxz7z8D
Name 2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-(5-hydroxy-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 85405-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O6
InChI InChI=1S/C18H30O6/c1-11(9-16(20)23-4)8-15-18(22)17(21)14(10-24-15)7-5-6-12(2)13(3)19/h5-6,9,12-15,17-19,21-22H,7-8,10H2,1-4H3/b6-5+,11-9+/t12?,13?,14-,15+,17+,18-/m1/s1
InChIKey NSDBDDRHDQRXGR-IVQWCRKZSA-N
Molecular Weight 342.432 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(O)C)C)[H])[H]
SPLASH splash10-03xr-0930000000-e18b458c735591d09c38
Source of Spectrum KC-1982-2831-0
Synonyms 2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-(5-hydroxy-4-methyl-2-hexenyl) -2H-pyran-2-yl]-, methyl ester, [2S-[2.alpha.(Z),3.beta.,4.beta.,5.alpha.(2E,4S*,5R*)]]- Methyl (2E)-5,9-anhydro-2,3,4,8-tetradeoxy-8-[(2E)-5-hydroxy-4-methyl-2-hexenyl]-3-methyl-D-galacto-non-2-enonate Methyl ester of desoctylcyclicfuran derivative of pseudomonic acid C Methyl isomate Methyl monate C
Wiley ID 1336461