Isoscutellarein-7-O-(Allosyl(1-2)Glucoside)
[CAS# 96627-12-2]

Identification

• Name: Isoscutellarein-7-O-(Allosyl(1-2)Glucoside)
• Synonyms: 7-[(2S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5,8-Dihydroxy-2-(4-Hydroxyphenyl)Chromen-4-One; 7-[[(2S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(
• Molecular Formula: C₂₇H₃₀O₁₆
• Molecular Weight: 610.52
• CAS Registry Number: 96627-12-2
• SMILES: [C@@H]5(OC4[C@H](OC1=CC(=C2C(=C1O)OC(=CC2=O)C3=CC=C(O)C=C3)O)O[C@@H]([C@@H](O)[C@@H]4O)CO)O[C@@H]([C@@H](O)[C@@H](O)[C@H]5O)CO
• InChI: 1S/C27H30O16/c28-7-15-18(33)21(36)23(38)26(41-15)43-25-22(37)19(34)16(8-29)42-27(25)40-14-6-12(32)17-11(31)5-13(39-24(17)20(14)35)9-1-3-10(30)4-2-9/h1-6,15-16,18-19,21-23,25-30,32-38H,7-8H2/t15-,16-,18-,19-,21-,22+,23-,25?,26+,27-/m1/s1
• InChIKey: PTKNECMMKRDZEG-KHMFPJBWSA-N

Properties

• Density: 1.826g/cm³ (Cal.)
• Boiling point: 1009.284°C at 760 mmHg (Cal.)
• Flash point: 333.929°C (Cal.)