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(R)-(2E,4E,8Z)-13-Benzoyloxy-tetradeca-2,4,8-trien-1,6-diol
SpectraBase Compound ID JR2U49F6bcB
InChI InChI=1S/C21H28O4/c1-18(25-21(24)19-13-7-4-8-14-19)12-6-2-3-9-15-20(23)16-10-5-11-17-22/h3-5,7-11,13-14,16,18,20,22-23H,2,6,12,15,17H2,1H3/b9-3-,11-5+,16-10+/t18?,20-/m1/s1
InChIKey HZYJQBLWVVDHQY-SYLNJKLESA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JuK7VBjhCd
Name (R)-(2E,4E,8Z)-13-Benzoyloxy-tetradeca-2,4,8-trien-1,6-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-18(25-21(24)19-13-7-4-8-14-19)12-6-2-3-9-15-20(23)16-10-5-11-17-22/h3-5,7-11,13-14,16,18,20,22-23H,2,6,12,15,17H2,1H3/b9-3-,11-5+,16-10+/t18?,20-/m1/s1
InChIKey HZYJQBLWVVDHQY-SYLNJKLESA-N
Molecular Weight 344.451 g/mol
SMILES OC\C=C\C=C\[C@](O)(C\C=C/CCCC(OC(=O)c1ccccc1)C)[H]
SPLASH splash10-0ab9-1900000000-19fb0130d24b882ed7ef
Source of Spectrum AC-1990-803-9
Synonyms (5Z,8R,9E,11E)-8,13-dihydroxy-1-methyl-5,9,11-tridecatrienyl benzoate 13-Benzoyloxy-tetradeca-2,4,8-trien-1,6-diol
Wiley ID 747860