Ellagic acid-4-O-beta-D-xylopyranoside
[CAS# 139163-18-1]

Identification

• Name: Ellagic acid-4-O-beta-D-xylopyranoside
• Synonyms: Aids354088; (1)Benzopyrano(5,4,3-Cde)(1)Benzopyran-5,10-Dione, 2,3,8-Trihydroxy-7-(Beta-D-Xylopyranosyloxy)-; Eabxp
• Molecular Formula: C₁₉H₁₄O₁₂
• Molecular Weight: 434.31
• CAS Registry Number: 139163-18-1
• SMILES: [C@@H]5([C@H](OC3=CC4=C2C1=C(C(=C(C=C1C(OC2=C3O)=O)O)O)OC4=O)OC[C@@H](O)[C@@H]5O)O
• InChI: 1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11+,14-,19+/m1/s1
• InChIKey: KNURQRIPZJJYQO-PJIMMEPBSA-N

Properties

• Density: 2.008g/cm³ (Cal.)
• Boiling point: 899.664°C at 760 mmHg (Cal.)
• Flash point: 325.246°C (Cal.)