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(E)-5-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-4-methyl-pent-3-en-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-5-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-4-methyl-pent-3-en-2-one
SpectraBase Compound ID EEBBwdd07mf
InChI InChI=1S/C18H30O6/c1-9(5-10(2)19)6-14-17(22)16(21)13(8-23-14)7-15-18(24-15)11(3)12(4)20/h5,11-18,20-22H,6-8H2,1-4H3/b9-5+/t11-,12-,13-,14-,15-,16+,17-,18-/m0/s1
InChIKey ZRKCDYXNYLAPJT-JMAWSFJLSA-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 729l9g0qvNB
Name (E)-5-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-4-methyl-pent-3-en-2-one
CAS Registry Number 79959-63-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O6
InChI InChI=1S/C18H30O6/c1-9(5-10(2)19)6-14-17(22)16(21)13(8-23-14)7-15-18(24-15)11(3)12(4)20/h5,11-18,20-22H,6-8H2,1-4H3/b9-5+/t11-,12-,13-,14-,15-,16+,17-,18-/m0/s1
InChIKey ZRKCDYXNYLAPJT-JMAWSFJLSA-N
Molecular Weight 342.432 g/mol
SMILES O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\C(=O)C)C)[H])[H])[H])[H])(C)[H])(C)[H]
SPLASH splash10-0006-9010000000-52b63dc4897de8775712
Source of Spectrum KC-1982-731-0
Synonyms (E)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-4-methyl-pent-3-en-2-one (E)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]-4-methyl-3-penten-2-one (E)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-4-methylpent-3-en-2-one
Wiley ID 1336459