(-)-beta,3,4-Trihydroxybenzenepentanoic Acid 2-(3,4-Dihydroxyphenyl)-3,4-Dihydro-5,7-Dihydroxy-2H-1-Benzopyran-3-Yl Ester
[CAS# 98570-83-3]

Identification

• Name: (-)-beta,3,4-Trihydroxybenzenepentanoic Acid 2-(3,4-Dihydroxyphenyl)-3,4-Dihydro-5,7-Dihydroxy-2H-1-Benzopyran-3-Yl Ester
• Synonyms: [(2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-Chroman-3-Yl] (3S)-5-(3,4-Dihydroxyphenyl)-3-Hydroxy-Pentanoate; (3S)-5-(3,4-Dihydroxyphenyl)-3-Hydroxypentanoic Acid [(2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-Chromanyl] Ester; (3S)-5-(3,4-Dihydroxyphen
• Molecular Formula: C₂₆H₂₆O₁₀
• Molecular Weight: 498.49
• CAS Registry Number: 98570-83-3
• SMILES: [C@@H]2(OC1=CC(=CC(=C1C[C@@H]2OC(=O)C[C@@H](O)CCC3=CC(=C(O)C=C3)O)O)O)C4=CC(=C(O)C=C4)O
• InChI: 1S/C26H26O10/c27-15(4-1-13-2-5-18(29)21(32)7-13)11-25(34)35-24-12-17-20(31)9-16(28)10-23(17)36-26(24)14-3-6-19(30)22(33)8-14/h2-3,5-10,15,24,26-33H,1,4,11-12H2/t15-,24-,26+/m0/s1
• InChIKey: FKDRTLFRRHQTGU-TYFWRAIDSA-N

Properties

• Density: 1.609g/cm³ (Cal.)
• Boiling point: 864.015°C at 760 mmHg (Cal.)
• Flash point: 294.32°C (Cal.)