98000-15-8 Purity
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The molecular formula is C20H32O5.
The synonyms are:
98004-40-1
(5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid
5,8,14,17-Eicosatetraenoic acid, 10,11,12-trihydroxy-
Trioxilin B4
The molecular weight is 352.5 g/mol.
The IUPAC name is (5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid.
The InChI is InChI=1S/C20H32O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h3-4,6-8,11-12,15,17-18,20-22,25H,2,5,9-10,13-14,16H2,1H3,(H,23,24)/b4-3+,7-6+,11-8+,15-12+.
The InChIKey is ZFEDJGVEKTWFMY-AHOXBEKVSA-N.
The canonical SMILES is CCC=CCC=CCC(C(C(C=CCC=CCCCC(=O)O)O)O)O.
It has 4 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.