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trans-4-Hydroxycyclohexyl 2-O-[(2E)-3-(4-Hydroxyphenyl)prop-2-enoyl]beta-D-glucopyranoside
SpectraBase Compound ID CTJaKGKVdO3
InChI InChI=1S/C21H28O9/c22-11-16-18(26)19(27)20(21(29-16)28-15-8-6-14(24)7-9-15)30-17(25)10-3-12-1-4-13(23)5-2-12/h1-5,10,14-16,18-24,26-27H,6-9,11H2/b10-3+/t14-,15-,16-,18-,19+,20-,21-/m1/s1
InChIKey MLJJVNLVCAKXNB-MSDMATSYSA-N
Mol Weight 424.45 g/mol
Molecular Formula C21H28O9
Exact Mass 424.173332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSAl89pZuFJ
Name trans-4-Hydroxycyclohexyl 2-O-[(2E)-3-(4-Hydroxyphenyl)prop-2-enoyl]beta-D-glucopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O9
InChI InChI=1S/C21H28O9/c22-11-16-18(26)19(27)20(21(29-16)28-15-8-6-14(24)7-9-15)30-17(25)10-3-12-1-4-13(23)5-2-12/h1-5,10,14-16,18-24,26-27H,6-9,11H2/b10-3+/t14-,15-,16-,18-,19+,20-,21-/m1/s1
InChIKey MLJJVNLVCAKXNB-MSDMATSYSA-N
Literature Reference DOI 10.1002/cbdv.200490161
Molecular Weight 424.446 g/mol
SMILES O[C@]1([C@@]([C@]([C@@](O[C@@]1(CO)[H])(O[C@]1(CC[C@@](CC1)(O)[H])[H])[H])(OC(\C=C\c1ccc(cc1)O)=O)[H])(O)[H])[H]
SPLASH splash10-02i2-6900000000-cf40ac058e4b6ee5bfbf
Source of Spectrum CBD-2-110-3
Synonyms trans-Hydroxycyclohexyl 2-O-coumaroyl beta-D-glucopyranoside (2R,3R,4S,5S,6R)-4,5-dihydroxy-2-(((1r,4R)-4-hydroxycyclohexyl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxyphenyl)acrylate
Wiley ID 1796786