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Gallic acid stearyl ester

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Category Herpes simplex Virus (HSV)
CAS 10361-12-3
Description Gallic acid stearyl ester, a long chain alkyl gallate (carbon number of 18), has antioxidant activity and weak antiviral activity against HSV-1.
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Product Information

Synonyms Stearyl gallate; Octadecyl gallate; Benzoic acid, 3,4,5-trihydroxy-, octadecyl ester; 3,4,5-trihydroxy benzoic acid stearyl ester; Gallic acid, octadecyl ester; 3,4,5-Trihydroxybenzoic acid octadecyl ester
IUPAC Name octadecyl 3,4,5-trihydroxybenzoate
Molecular Weight 422.60
Molecular Formula C25H42O5
Canonical SMILES CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
InChI InChI=1S/C25H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-25(29)21-19-22(26)24(28)23(27)20-21/h19-20,26-28H,2-18H2,1H3
InChIKey BRNPAEUKZMBRLQ-UHFFFAOYSA-N
Boiling Point 583.0±45.0°C (Predicted)
Melting Point 95°C
Flash Point 187.8±22.2 °C
Purity ≥95%
Density 1.048±0.06 g/cm3 (Predicted)
Solubility In Vitro:
10 mM in DMSO
Appearance Solid
Storage Store at -20°C
Complexity 402
Exact Mass 422.30322444
Index Of Refraction 1.519
PSA 86.99000
Target HSV
Vapor Pressure 0.0±1.7 mmHg at 25°C
XLogP3-AA 9.1

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