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(Z)-3-Hexenyl .beta.-glucopyranoside, 4ac derivative
SpectraBase Compound ID 52k1deSm8WS
InChI InChI=1S/C20H30O10/c1-6-7-8-9-10-25-20-19(29-15(5)24)18(28-14(4)23)17(27-13(3)22)16(30-20)11-26-12(2)21/h7-8,16-20H,6,9-11H2,1-5H3/b8-7-/t16-,17-,18+,19-,20-/m1/s1
InChIKey OUMRXXRKHIERIV-OBTKVKAUSA-N
Mol Weight 430.45 g/mol
Molecular Formula C20H30O10
Exact Mass 430.183897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2kOUAFaqO5L
Name (Z)-3-Hexenyl .beta.-glucopyranoside, 4ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 430.183897156 u
Formula C20H30O10
InChI InChI=1S/C20H30O10/c1-6-7-8-9-10-25-20-19(29-15(5)24)18(28-14(4)23)17(27-13(3)22)16(30-20)11-26-12(2)21/h7-8,16-20H,6,9-11H2,1-5H3/b8-7-/t16-,17-,18+,19-,20-/m1/s1
InChIKey OUMRXXRKHIERIV-OBTKVKAUSA-N
Molecular Weight 430.450 g/mol
SMILES [C@@]1(OCC\C=C/CC)([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H]