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14-O-BETA-D-GLUCOPYRANOSYL-(2E,4E,7S,8E,10E,12E,14R)-7,9,13,17-TETRAMETHYL-7,14-DIHYDROXY-2,4,8,10,12,16-OCTADECAHEXAENOIC-ACID
SpectraBase Compound ID JsHmZIrlsUb
InChI InChI=1S/C28H42O9/c1-18(2)13-14-21(36-27-26(34)25(33)24(32)22(17-29)37-27)20(4)11-9-10-19(3)16-28(5,35)15-8-6-7-12-23(30)31/h6-13,16,21-22,24-27,29,32-35H,14-15,17H2,1-5H3,(H,30,31)/b8-6+,10-9+,12-7+,19-16+,20-11+/t21-,22-,24-,25+,26-,27-,28+/m0/s1
InChIKey HTGFZKQPJXUSTN-VSTSBKNWSA-N
Mol Weight 522.6 g/mol
Molecular Formula C28H42O9
Exact Mass 522.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CdhQFVqsdfU
Name 14-O-BETA-D-GLUCOPYRANOSYL-(2E,4E,7S,8E,10E,12E,14R)-7,9,13,17-TETRAMETHYL-7,14-DIHYDROXY-2,4,8,10,12,16-OCTADECAHEXAENOIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O9
InChI InChI=1S/C28H42O9/c1-18(2)13-14-21(36-27-26(34)25(33)24(32)22(17-29)37-27)20(4)11-9-10-19(3)16-28(5,35)15-8-6-7-12-23(30)31/h6-13,16,21-22,24-27,29,32-35H,14-15,17H2,1-5H3,(H,30,31)/b8-6+,10-9+,12-7+,19-16+,20-11+/t21-,22-,24-,25+,26-,27-,28+/m0/s1
InChIKey HTGFZKQPJXUSTN-VSTSBKNWSA-N
Literature Reference Author T.REZANKA
Literature Reference Citation PHYTOCHEM.,60,639(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00159-0
Molecular Weight 522.636 g/mol
Solvent C5D5N:CD3OD=1:1
Source File Reference UWMS1760