3-(3,4-Dihydroxy-1-Methoxy-2-Oxopentyl)-2,6,8,9-Tetrahydroxy-3,4-Dihydro-2H-Anthracen-1-One
[CAS# 6680-06-4]

Identification

• Name: 3-(3,4-Dihydroxy-1-Methoxy-2-Oxopentyl)-2,6,8,9-Tetrahydroxy-3,4-Dihydro-2H-Anthracen-1-One
• Synonyms: 3-(3,4-Dihydroxy-1-Methoxy-2-Oxo-Pentyl)-2,6,8,9-Tetrahydroxy-3,4-Dihydro-2H-Anthracen-1-One; 3-(3,4-Dihydroxy-2-Keto-1-Methoxy-Pentyl)-2,6,8,9-Tetrahydroxy-3,4-Dihydro-2H-Anthracen-1-One; D-Threo-2-Pentulose, 5-Deoxy-1-O-Methyl-1-C-(1,2,3,4-Tetrahydro-3,5,7,10-Tetrahydroxy-4-Oxo-2-Anthracenyl)-, (2R-(2Alpha(1S*),3Beta))-
• Molecular Formula: C₂₀H₂₂O₉
• Molecular Weight: 406.39
• CAS Registry Number: 6680-06-4
• SMILES: C1=C3C(=C(O)C2=C1CC(C(O)C2=O)C(OC)C(=O)C(O)C(O)C)C(=CC(=C3)O)O
• InChI: 1S/C20H22O9/c1-7(21)15(24)19(28)20(29-2)11-5-9-3-8-4-10(22)6-12(23)13(8)17(26)14(9)18(27)16(11)25/h3-4,6-7,11,15-16,20-26H,5H2,1-2H3
• InChIKey: PIHTXGRVQBTVRE-UHFFFAOYSA-N

Properties

• Density: 1.563g/cm³ (Cal.)
• Boiling point: 722.442°C at 760 mmHg (Cal.)
• Flash point: 257.679°C (Cal.)