1-[2-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxyphenyl]Ethanone
[CAS# 149475-54-7]

Identification

• Name: 1-[2-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxyphenyl]Ethanone
• Synonyms: 1-[2-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Phenyl]Ethanone; 1-[2-Hydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Oxy]Phenyl]Ethanone; 1-[2-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxy-Phenyl]Ethanone
• Molecular Formula: C₁₉H₂₆O₁₂
• Molecular Weight: 446.41
• CAS Registry Number: 149475-54-7
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@@H](O)[C@@H](CO2)O)O)O)O)OC3=CC=C(C(=O)C)C(=C3)O
• InChI: 1S/C19H26O12/c1-7(20)9-3-2-8(4-10(9)21)30-19-17(27)15(25)14(24)12(31-19)6-29-18-16(26)13(23)11(22)5-28-18/h2-4,11-19,21-27H,5-6H2,1H3/t11-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1
• InChIKey: YKOIOWJTRVFMHP-BMVMOQKNSA-N

Properties

• Density: 1.637g/cm³ (Cal.)
• Boiling point: 759.943°C at 760 mmHg (Cal.)
• Flash point: 267.832°C (Cal.)