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(2E)-4,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl .beta.-D-glucopyranoside, 5me derivative

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(2E)-4,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl .beta.-D-glucopyranoside, 5me derivative
SpectraBase Compound ID KXSANoexlTk
InChI InChI=1S/C21H40O8/c1-14(15(24-5)9-11-21(2,3)22)10-12-28-20-19(27-8)18(26-7)17(25-6)16(29-20)13-23-4/h10,15-20,22H,9,11-13H2,1-8H3/b14-10+/t15?,16-,17-,18+,19-,20-/m1/s1
InChIKey JJOLZDYOHJZLCP-RZNNEZTQSA-N
Mol Weight 420.5 g/mol
Molecular Formula C21H40O8
Exact Mass 420.272318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CnyGTaBMlj3
Name (2E)-4,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl .beta.-D-glucopyranoside, 5me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.272318240 u
Formula C21H40O8
InChI InChI=1S/C21H40O8/c1-14(15(24-5)9-11-21(2,3)22)10-12-28-20-19(27-8)18(26-7)17(25-6)16(29-20)13-23-4/h10,15-20,22H,9,11-13H2,1-8H3/b14-10+/t15?,16-,17-,18+,19-,20-/m1/s1
InChIKey JJOLZDYOHJZLCP-RZNNEZTQSA-N
Molecular Weight 420.543 g/mol
SMILES [C@]1(OC\C=C\(C(CCC(C)(C)O)OC)C)(O[C@](COC)([C@@](OC)([C@](OC)([C@]1(OC)[H])[H])[H])[H])[H]