Embinin
[CAS# 52589-13-6]

Identification

• Name: Embinin
• Synonyms: 6-[(3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]-5-Hydroxy-7-Methoxy-2-(4-Methoxyphenyl)Chromen-4-One; 6-[(3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]-5-Hydroxy-7-Methoxy-2-(4-Methoxyphenyl)-4-Chromenone; 6-[(3R,4S,5S,6R)-4,5-Dihydroxy-6-Methylol-3-[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]-5-Hydroxy-7-Methoxy-2-(4-Methoxyphenyl)Chromone
• Molecular Formula: C₂₉H₃₄O₁₄
• Molecular Weight: 606.58
• CAS Registry Number: 52589-13-6
• SMILES: [C@@H]4(C(C2=C(C=C1OC(=CC(C1=C2O)=O)C3=CC=C(C=C3)OC)OC)O[C@@H]([C@@H](O)[C@@H]4O)CO)OC5[C@H]([C@@H](O)[C@@H]([C@H](O5)C)O)O
• InChI: 1S/C29H34O14/c1-11-21(32)24(35)26(37)29(40-11)43-28-25(36)22(33)18(10-30)42-27(28)20-16(39-3)9-17-19(23(20)34)14(31)8-15(41-17)12-4-6-13(38-2)7-5-12/h4-9,11,18,21-22,24-30,32-37H,10H2,1-3H3/t11-,18-,21-,22-,24+,25+,26+,27?,28-,29?/m1/s1
• InChIKey: OXTGLFRGBDFBHI-FFIOIDJNSA-N

Properties

• Density: 1.593g/cm³ (Cal.)
• Boiling point: 833.703°C at 760 mmHg (Cal.)
• Flash point: 271.894°C (Cal.)