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(2E)-4,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl .beta.-D-glucopyranoside, 6me derivative

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(2E)-4,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl .beta.-D-glucopyranoside, 6me derivative
SpectraBase Compound ID CWTYa2a8EDQ
InChI InChI=1S/C22H42O8/c1-15(16(24-5)10-12-22(2,3)28-9)11-13-29-21-20(27-8)19(26-7)18(25-6)17(30-21)14-23-4/h11,16-21H,10,12-14H2,1-9H3/b15-11+/t16?,17-,18-,19+,20-,21-/m1/s1
InChIKey NOZJKNSVYFXBAH-RDWOKXRVSA-N
Mol Weight 434.6 g/mol
Molecular Formula C22H42O8
Exact Mass 434.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J98RKMgYL4Z
Name (2E)-4,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl .beta.-D-glucopyranoside, 6me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.287968304 u
Formula C22H42O8
InChI InChI=1S/C22H42O8/c1-15(16(24-5)10-12-22(2,3)28-9)11-13-29-21-20(27-8)19(26-7)18(25-6)17(30-21)14-23-4/h11,16-21H,10,12-14H2,1-9H3/b15-11+/t16?,17-,18-,19+,20-,21-/m1/s1
InChIKey NOZJKNSVYFXBAH-RDWOKXRVSA-N
Molecular Weight 434.570 g/mol
SMILES [C@]1(OC\C=C\(C(CCC(C)(C)OC)OC)C)(O[C@](COC)([C@@](OC)([C@](OC)([C@]1(OC)[H])[H])[H])[H])[H]