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3-ALPHA-HYDROXY-1-ALPHA,5-ALPHA,7-ALPHA(H)-GUAIA-4(15),10(14),11(13)-TRIEN-12-OIC-ACID-BETA-GLUCOPYRANOSYLESTER
SpectraBase Compound ID 47b8dd4rRuU
InChI InChI=1S/C21H30O8/c1-9-4-5-12(6-14-11(3)15(23)7-13(9)14)10(2)20(27)29-21-19(26)18(25)17(24)16(8-22)28-21/h12-19,21-26H,1-8H2/t12-,13+,14+,15-,16+,17+,18-,19+,21-/m1/s1
InChIKey RWUGMEOHLZRWAS-BRBYYNCQSA-N
Mol Weight 410.46 g/mol
Molecular Formula C21H30O8
Exact Mass 410.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KO5eshjujBP
Name 3-ALPHA-HYDROXY-1-ALPHA,5-ALPHA,7-ALPHA(H)-GUAIA-4(15),10(14),11(13)-TRIEN-12-OIC-ACID-BETA-GLUCOPYRANOSYLESTER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O8
InChI InChI=1S/C21H30O8/c1-9-4-5-12(6-14-11(3)15(23)7-13(9)14)10(2)20(27)29-21-19(26)18(25)17(24)16(8-22)28-21/h12-19,21-26H,1-8H2/t12-,13+,14+,15-,16+,17+,18-,19+,21-/m1/s1
InChIKey RWUGMEOHLZRWAS-BRBYYNCQSA-N
Literature Reference Author K.MICHALSKA,W.KISIEL
Literature Reference Citation MOLECULES,13,444(2008)
Literature Reference DOI 10.3390/molecules13020444
Molecular Weight 410.464 g/mol
Sample ID 38506
Solvent C5D5N