Daphnin
[CAS# 486-55-5]

Identification

• Name: Daphnin
• Synonyms: 8-Hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromen-2-One; 8-Hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Chromenone; 8-Hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Coumarin
• Molecular Formula: C₁₅H₁₆O₉
• Molecular Weight: 340.29
• CAS Registry Number: 486-55-5
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC3=CC=C2C=CC(OC2=C3O)=O
• InChI: 1S/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2/t8-,10-,12+,13-,15-/m1/s1
• InChIKey: HOIXTKAYCMNVMY-PVOAASPHSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 670.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 252.4±25.0°C (Cal.)