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Ethyl 5,19-dibenzoyloxy-12-hydroxy-icosa-6(E) ,8, 10, 14-tetraenoate
SpectraBase Compound ID 5WEZWWepkXR
InChI InChI=1S/C36H44O7/c1-3-41-34(38)28-18-27-33(43-36(40)31-22-13-9-14-23-31)26-17-7-6-16-25-32(37)24-15-5-4-10-19-29(2)42-35(39)30-20-11-8-12-21-30/h5-9,11-17,20-23,25-26,29,32-33,37H,3-4,10,18-19,24,27-28H2,1-2H3/b7-6+,15-5-,25-16+,26-17+/t29?,32-,33-/m1/s1
InChIKey MSQAWOVEVNSTQL-OZGPCFMSSA-N
Mol Weight 588.7 g/mol
Molecular Formula C36H44O7
Exact Mass 588.308704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DNFvOScqZX
Name Ethyl 5,19-dibenzoyloxy-12-hydroxy-icosa-6(E) ,8, 10, 14-tetraenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H44O7
InChI InChI=1S/C36H44O7/c1-3-41-34(38)28-18-27-33(43-36(40)31-22-13-9-14-23-31)26-17-7-6-16-25-32(37)24-15-5-4-10-19-29(2)42-35(39)30-20-11-8-12-21-30/h5-9,11-17,20-23,25-26,29,32-33,37H,3-4,10,18-19,24,27-28H2,1-2H3/b7-6+,15-5-,25-16+,26-17+/t29?,32-,33-/m1/s1
InChIKey MSQAWOVEVNSTQL-OZGPCFMSSA-N
Molecular Weight 588.741 g/mol
SMILES O[C@@](\C=C\C=C\C=C\[C@@](OC(=O)c1ccccc1)(CCCC(=O)OCC)[H])(C\C=C/CCCC(OC(=O)c1ccccc1)C)[H]
SPLASH splash10-0adi-4900000000-1a4b49c075eb1453d7d9
Source of Spectrum AC-1990-805-20
Synonyms (5Z,9E,11E,13E)-15-(benzoyloxy)-19-ethoxy-8-hydroxy-1-methyl-19-oxo-5,9,11,13-nonadecatetraenyl benzoate
Wiley ID 747855