4-Heptylumbelliferyl-beta-Glucoside
[CAS# 100443-43-4]

Identification

• Name: 4-Heptylumbelliferyl-beta-Glucoside
• Synonyms: 4-Heptyl-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromen-2-One; 4-Heptyl-7-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Chromenone; 4-Heptyl-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Coumarin
• Molecular Formula: C₂₂H₃₀O₈
• Molecular Weight: 422.47
• CAS Registry Number: 100443-43-4
• SMILES: [C@@H]3(OC1=CC=C2C(=C1)OC(=O)C=C2CCCCCCC)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
• InChI: 1S/C22H30O8/c1-2-3-4-5-6-7-13-10-18(24)29-16-11-14(8-9-15(13)16)28-22-21(27)20(26)19(25)17(12-23)30-22/h8-11,17,19-23,25-27H,2-7,12H2,1H3/t17-,19-,20+,21-,22-/m1/s1
• InChIKey: MDSVWUIXWSZDSC-MIUGBVLSSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 651.682°C at 760 mmHg (Cal.)
• Flash point: 224.596°C (Cal.)