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(+)-(8R,5Z,9E,11Z,14Z)-8-Hydroxy-5,9,11,14-icosatetraenoic acid
SpectraBase Compound ID 3RSyoRiqhQw
InChI InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m0/s1
InChIKey NLUNAYAEIJYXRB-GTYUHVKWSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3J7nxj6vkfX
Name (+)-(8R,5Z,9E,11Z,14Z)-8-Hydroxy-5,9,11,14-icosatetraenoic acid
Alternate Name(s) (5Z,8R,9E,11Z,14Z)-8-hydroxyeicosa-5,9,11,14-tetraenoic acid (5Z,8R,9E,11Z,14Z)-8-hydroxyicosa-5,9,11,14-tetraenoic acid (5Z,8R,9E,11Z,14Z)-8-oxidanylicosa-5,9,11,14-tetraenoic acid
CAS Registry Number 105500-09-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m0/s1
InChIKey NLUNAYAEIJYXRB-GTYUHVKWSA-N
Molecular Weight 320.473 g/mol
SMILES OC(CCC\C=C/C[C@](\C=C\C=C/C\C=C/CCCCC)(O)[H])=O
SPLASH splash10-0006-9000000000-7db0a7cdc68e59e1805d
Source of Spectrum H-71-1099-0
Wiley ID 1320429