Isosalipurposide
[CAS# 4547-85-7]

Identification

• Name: Isosalipurposide
• Synonyms: (E)-1-[2,4-Dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Phenyl]-3-(4-Hydroxyphenyl)Prop-2-En-1-One; (E)-1-[2,4-Dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]-3-(4-Hydroxyphenyl)Prop-2-En-1-One; (E)-1-[2,4-Dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Phenyl]-3-(4-Hydroxyphenyl)Prop-2-En-1-One
• Molecular Formula: C₂₁H₂₂O₁₀
• Molecular Weight: 434.40
• CAS Registry Number: 4547-85-7
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC2=C(C(=CC(=C2)O)O)C(/C=C/C3=CC=C(C=C3)O)=O
• InChI: 1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-24,26-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1
• InChIKey: WQCWELFQKXIPCN-JSYAWONVSA-N

Properties

• Density: 1.596g/cm³ (Cal.)
• Boiling point: 771.779°C at 760 mmHg (Cal.)
• Flash point: 272.258°C (Cal.)