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4-Hexen-3-one, 5-methyl-6-[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 EC7sIAtBI4E
InChI InChI=1S/C19H32O6/c1-5-14(21)6-10(2)7-15-18(23)17(22)13(9-24-15)8-16-19(25-16)11(3)12(4)20/h6,11-13,15-20,22-23H,5,7-9H2,1-4H3/b10-6+/t11-,12?,13+,15-,16?,17-,18+,19?/m0/s1
InChIKey NDJUYZHHOBOIRR-CNVNUCHGSA-N
Mol Weight 356.5 g/mol
Molecular Formula C19H32O6
Exact Mass 356.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdVcHVfG0B7
Name 4-Hexen-3-one, 5-methyl-6-[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 79959-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H32O6
InChI InChI=1S/C19H32O6/c1-5-14(21)6-10(2)7-15-18(23)17(22)13(9-24-15)8-16-19(25-16)11(3)12(4)20/h6,11-13,15-20,22-23H,5,7-9H2,1-4H3/b10-6+/t11-,12?,13+,15-,16?,17-,18+,19?/m0/s1
InChIKey NDJUYZHHOBOIRR-CNVNUCHGSA-N
Molecular Weight 356.459 g/mol
SMILES OC([C@@](C1OC1C[C@@]1(CO[C@]([C@]([C@]1(O)[H])(O)[H])(C\C(=C\C(=O)CC)C)[H])[H])(C)[H])C
SPLASH splash10-0a4i-9050000000-72ba5f088864bc87a0c3
Source of Spectrum KC-1982-733-0
Synonyms (4E)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]-5-methylhex-4-en-3-one (E)-6-{(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]-3,4-dihydroxytetrahydropyran-2-yl}-5-methylhex-4-e-3-one
Wiley ID 1345753