Plicatic Acid
[CAS# 16462-65-0]

Identification

• Name: Plicatic Acid
• Synonyms: (1S,2S,3R)-1-(3,4-Dihydroxy-5-Methoxy-Phenyl)-2,3,7-Trihydroxy-3-(Hydroxymethyl)-6-Methoxy-Tetralin-2-Carboxylic Acid; (1S,2S,3R)-1-(3,4-Dihydroxy-5-Methoxyphenyl)-2,3,7-Trihydroxy-3-(Hydroxymethyl)-6-Methoxy-2-Tetralincarboxylic Acid; (1S,2S,3R)-1-(3,4-Dihydroxy-5-Methoxy-Phenyl)-2,3,7-Trihydroxy-6-Methoxy-3-Methylol-Tetralin-2-Carboxylic Acid
• Molecular Formula: C₂₀H₂₂O₁₀
• Molecular Weight: 422.39
• CAS Registry Number: 16462-65-0
• SMILES: [C@@]1([C@H](C2=C(C[C@@]1(O)CO)C=C(OC)C(=C2)O)C3=CC(=C(C(=C3)O)O)OC)(C(=O)O)O
• InChI: 1S/C20H22O10/c1-29-14-5-10-7-19(27,8-21)20(28,18(25)26)16(11(10)6-12(14)22)9-3-13(23)17(24)15(4-9)30-2/h3-6,16,21-24,27-28H,7-8H2,1-2H3,(H,25,26)/t16-,19+,20+/m0/s1
• InChIKey: PGFBYAIGHPJFFJ-PWIZWCRZSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 731.4±60.0°C at 760 mmHg (Cal.)
• Flash point: 259.7±26.4°C (Cal.)