6-(2-Hydroxyethyl)-2,2,5,7-Tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3H-Inden-1-One
[CAS# 78415-48-2]

Identification

• Name: 6-(2-Hydroxyethyl)-2,2,5,7-Tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3H-Inden-1-One
• Synonyms: 6-(2-Hydroxyethyl)-2,2,5,7-Tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Indan-1-One; 6-(2-Hydroxyethyl)-2,2,5,7-Tetramethyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1-Indanone; 6-(2-Hydroxyethyl)-2,2,5,7-Tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Indan-1-One
• Molecular Formula: C₂₁H₃₀O₈
• Molecular Weight: 410.46
• CAS Registry Number: 78415-48-2
• SMILES: [C@@H]3(OC1=C(C(=C(C2=C1CC(C2=O)(C)C)C)CCO)C)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
• InChI: 1S/C21H30O8/c1-9-11(5-6-22)10(2)18(12-7-21(3,4)19(27)14(9)12)29-20-17(26)16(25)15(24)13(8-23)28-20/h13,15-17,20,22-26H,5-8H2,1-4H3/t13-,15-,16+,17-,20+/m1/s1
• InChIKey: CLZGEWQFWIBQEP-RGCXKDKSSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 685.404°C at 760 mmHg (Cal.)
• Flash point: 239.4°C (Cal.)