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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJAlQk30RUc
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.204238680 u
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 [C@@]1(O[C@]1(C[C@@]1([C@]([C@@](O)([C@@](OC1)(C\C(=C\C(=O)C)C)[H])[H])(O)[H])[H])[H])([C@]([C@@](O)(C)[H])(C)[H])[H]