Calceolarioside A
[CAS# 84744-28-5]

Identification

• Name: Calceolarioside A
• Synonyms: [(2R,3S,4R,5R,6R)-6-[2-(3,4-Dihydroxyphenyl)Ethoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl] (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoate; (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid [(2R,3S,4R,5R,6R)-6-[2-(3,4-Dihydroxyphenyl)Ethoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl] Ester; (E)-3-(3,4-Dihydroxyphenyl)Acrylic Acid [(2R,3S,4R,5R,6R)-6-[2-(3,4-Dihydroxyphenyl)Ethoxy]-4,5-Dihydroxy-2-Methylol-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₂₃H₂₆O₁₁
• Molecular Weight: 478.45
• CAS Registry Number: 84744-28-5
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H](O[C@@H]1CO)OCCC2=CC=C(O)C(=C2)O)O)OC(/C=C/C3=CC=C(O)C(=C3)O)=O
• InChI: 1S/C23H26O11/c24-11-18-22(34-19(29)6-3-12-1-4-14(25)16(27)9-12)20(30)21(31)23(33-18)32-8-7-13-2-5-15(26)17(28)10-13/h1-6,9-10,18,20-28,30-31H,7-8,11H2/b6-3+/t18-,20-,21-,22-,23-/m1/s1
• InChIKey: UHIGZYLCYRQESL-VJWFJHQPSA-N

Properties

• Density: 1.586g/cm³ (Cal.)
• Boiling point: 784.674°C at 760 mmHg (Cal.)
• Flash point: 269.856°C (Cal.)