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(2R,3R,4S,5S,6R)-2-[(2E)-3,7-Dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 4me derivative
SpectraBase Compound ID KwWVVn67fQP
InChI InChI=1S/C20H36O6/c1-14(2)9-8-10-15(3)11-12-25-20-19(24-7)18(23-6)17(22-5)16(26-20)13-21-4/h9,11,16-20H,8,10,12-13H2,1-7H3/b15-11+/t16-,17-,18+,19-,20-/m1/s1
InChIKey BCIYXXRHYYPXNA-ILXVCRCHSA-N
Mol Weight 372.5 g/mol
Molecular Formula C20H36O6
Exact Mass 372.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8v43yNvwsq
Name (2R,3R,4S,5S,6R)-2-[(2E)-3,7-Dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 4me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.251188873 u
Formula C20H36O6
InChI InChI=1S/C20H36O6/c1-14(2)9-8-10-15(3)11-12-25-20-19(24-7)18(23-6)17(22-5)16(26-20)13-21-4/h9,11,16-20H,8,10,12-13H2,1-7H3/b15-11+/t16-,17-,18+,19-,20-/m1/s1
InChIKey BCIYXXRHYYPXNA-ILXVCRCHSA-N
Molecular Weight 372.502 g/mol
SMILES C(=CCC\C(=C\CO[C@@]1(O[C@@]([C@]([C@@]([C@]1(OC)[H])(OC)[H])(OC)[H])(COC)[H])[H])C)(C)C