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#4;2-(2,4-DIHYDROXYPHENYL)-ACETONITRILE-2-O-BETA-D-GLUCOPYRANOSIDE-6'-O-(S)-2-(4-HYDROXYCYCLOHEX-1-EN-1-YL)-ACETATE;(S)-1-(4-HYDROXYCYCLOHEX-1-EN-1-YL)-ACETATI

View entire compound with spectra: 1 NMR

#4;2-(2,4-DIHYDROXYPHENYL)-ACETONITRILE-2-O-BETA-D-GLUCOPYRANOSIDE-6'-O-(S)-2-(4-HYDROXYCYCLOHEX-1-EN-1-YL)-ACETATE;(S)-1-(4-HYDROXYCYCLOHEX-1-EN-1-YL)-ACETATI
SpectraBase Compound ID LOK6ZpYctlG
InChI InChI=1S/C22H27NO9/c23-8-7-13-3-6-15(25)10-16(13)31-22-21(29)20(28)19(27)17(32-22)11-30-18(26)9-12-1-4-14(24)5-2-12/h1,3,6,10,14,17,19-22,24-25,27-29H,2,4-5,7,9,11H2/t14-,17+,19+,20-,21+,22+/m0/s1
InChIKey AJKRIGVSWQWRBV-YMTXFHFDSA-N
Mol Weight 449.46 g/mol
Molecular Formula C22H27NO9
Exact Mass 449.168581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7qt8iVxTlg
Name #4;2-(2,4-DIHYDROXYPHENYL)-ACETONITRILE-2-O-BETA-D-GLUCOPYRANOSIDE-6'-O-(S)-2-(4-HYDROXYCYCLOHEX-1-EN-1-YL)-ACETATE;(S)-1-(4-HYDROXYCYCLOHEX-1-EN-1-YL)-ACETATI
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO9
InChI InChI=1S/C22H27NO9/c23-8-7-13-3-6-15(25)10-16(13)31-22-21(29)20(28)19(27)17(32-22)11-30-18(26)9-12-1-4-14(24)5-2-12/h1,3,6,10,14,17,19-22,24-25,27-29H,2,4-5,7,9,11H2/t14-,17+,19+,20-,21+,22+/m0/s1
InChIKey AJKRIGVSWQWRBV-YMTXFHFDSA-N
Literature Reference Author Y.YAMASHITA-HIGUCHI,S.SUGIMOTO,K.MATSUNAMI,M.INAGAKI,H.OTSUK A,Y.TAKEDA
Literature Reference Citation CHEM.PHARM.BULL.,63,49(2015)
Literature Reference DOI 10.1248/cpb.c14-00638
Molecular Weight 449.458 g/mol
Solvent CD3OD
Source File Reference UWPA10016