Nirurin
[CAS# 96253-68-8]

Identification

• Name: Nirurin
• Synonyms: 6,7-Dihydroxy-2-(4-Hydroxyphenyl)-8-(3-Methylbut-2-Enyl)-5-[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Chroman-4-One; 6,7-Dihydroxy-2-(4-Hydroxyphenyl)-8-(3-Methylbut-2-Enyl)-5-[[3,4,5-Trihydroxy-
• Molecular Formula: C₃₂H₄₀O₁₅
• Molecular Weight: 664.66
• CAS Registry Number: 96253-68-8
• SMILES: C5=C(C2OC1=C(C(=C(O)C(=C1C(=O)C2)OC3OC(C(O)C(O)C3O)COC4OC(C(O)C(O)C4O)C)O)CC=C(C)C)C=CC(=C5)O
• InChI: 1S/C32H40O15/c1-12(2)4-9-16-22(36)26(40)30(20-17(34)10-18(45-29(16)20)14-5-7-15(33)8-6-14)47-32-28(42)25(39)23(37)19(46-32)11-43-31-27(41)24(38)21(35)13(3)44-31/h4-8,13,18-19,21,23-25,27-28,31-33,35-42H,9-11H2,1-3H3
• InChIKey: POYMCXRWXZAMNO-UHFFFAOYSA-N

Properties

• Density: 1.592g/cm³ (Cal.)
• Boiling point: 999.261°C at 760 mmHg (Cal.)
• Flash point: 319.246°C (Cal.)