Paniculatin
[CAS# 32361-88-9]

Identification

• Name: Paniculatin
• Synonyms: 5,7-Dihydroxy-3-(4-Hydroxyphenyl)-6,8-Bis[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Chromen-4-One; 5,7-Dihydroxy-3-(4-Hydroxyphenyl)-6,8-Bis[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]-4-Chromenone; 5,7-Dihydroxy-3-(4-Hydroxyphenyl)-6,8-Bis[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Chromone
• Molecular Formula: C₂₇H₃₀O₁₅
• Molecular Weight: 594.53
• CAS Registry Number: 32361-88-9
• SMILES: [C@@H]5(C1=C(C(=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)O)O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO
• InChI: 1S/C27H30O15/c28-5-11-17(32)21(36)23(38)26(41-11)14-19(34)13-16(31)10(8-1-3-9(30)4-2-8)7-40-25(13)15(20(14)35)27-24(39)22(37)18(33)12(6-29)42-27/h1-4,7,11-12,17-18,21-24,26-30,32-39H,5-6H2/t11-,12-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1
• InChIKey: ISNRVVKKHPECQN-BOLWDHOCSA-N

Properties

• Density: 1.758g/cm³ (Cal.)
• Boiling point: 974.714°C at 760 mmHg (Cal.)
• Flash point: 323.723°C (Cal.)