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(8S,9R,5Z,10Z,12E,14E,17Z)-8,9-Dihydroxy-5,10,12,14,17-eicosapentaenoic acid

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(8S,9R,5Z,10Z,12E,14E,17Z)-8,9-Dihydroxy-5,10,12,14,17-eicosapentaenoic acid
SpectraBase Compound ID FtT48MddLYc
InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h3-4,6-10,12-13,15,18-19,21-22H,2,5,11,14,16-17H2,1H3,(H,23,24)/b4-3-,7-6+,9-8+,13-10-,15-12-/t18-,19+/m1/s1
InChIKey WYFRLICIOXDFMB-VRHUZPIRSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7X7PMEGVrYS
Name (8S,9R,5Z,10Z,12E,14E,17Z)-8,9-Dihydroxy-5,10,12,14,17-eicosapentaenoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h3-4,6-10,12-13,15,18-19,21-22H,2,5,11,14,16-17H2,1H3,(H,23,24)/b4-3-,7-6+,9-8+,13-10-,15-12-/t18-,19+/m1/s1
InChIKey WYFRLICIOXDFMB-VRHUZPIRSA-N
Molecular Weight 334.456 g/mol
SMILES C(=O)(O)CCC\C=C/C[C@@]([C@@](\C=C/C=C/C=C/C\C=C/CC)(O)[H])(O)[H]