Pinellic acid

Category	Influenza Virus
CAS	97134-11-7

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Synonyms	Pinellic acid;97134-11-7;9,12,13-TriHOME;9S,12S,13S-trihydroxy-10E-octadecenoic acid;9(S),12(S),13(S)-Trihydroxy-10(E)-octadecenoic acid;(E,9S,12S,13S)-9,12,13-trihydroxyoctadec-10-enoic acid;9(S),12(S),13(S)-TriHOME;(10E)-(9S,12S,13S)-9,12,13-Trihydroxyoctadec-10-enoic acid;Dihydrofulgidic acid;9,12,13-Trihydroxyoctadec-10-enoic acid;SCHEMBL3989371;CHEMBL4436085;CHEBI:34506;MDIUMSLCYIJBQC-MVFSOIOZSA-N;DTXSID001317644;LMFA02000014;AKOS040755725;DA-60617;PD131487;9S,12S,13S-trihydroxy-10E-octadecenoate;9(S),12(S),13(S)-Trihydroxy-10(E)-octadecenoate;Q27116118;(10E)-(9S,12S,13S)-9,12,13-Trihydroxyoctadec-10-enoate;(9S,10E,12S,13S)-9,12,13-trihydroxyoctadec-10-enoic acid;(9s,12s,13s)-e-9,12,13-trihydroxy-10-octadecaenoic acid;
IUPAC Name	(E,9S,12S,13S)-9,12,13-trihydroxyoctadec-10-enoic acid
Molecular Weight	478.5
Molecular Formula	C30H26N2O4
Canonical SMILES	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCC4=CC=C(C=C4)O)NCCC5=CC=C(C=C5)O
InChI	InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17-/m0/s1
InChIKey	MDIUMSLCYIJBQC-MVFSOIOZSA-N
Appearance	Liquid
Storage	Solution, -20°C, 2 years