epsilon-Isorhodomycinone
[CAS# 21204-32-0]

Identification

• Name: epsilon-Isorhodomycinone
• Synonyms: (1R,2R,4S)-2-Ethyl-2,4,5,7,10,12-Hexahydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester; (1R,2R,4S)-2-Ethyl-2,4,5,7,10,12-Hexahydroxy-6,11-Diketo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester; 1,11-Dihydroxyaklavinone
• Molecular Formula: C₂₂H₂₀O₁₀
• Molecular Weight: 444.39
• CAS Registry Number: 21204-32-0
• SMILES: [C@H]4(C3=C(C2=C(C(C1=C(C(=CC=C1O)O)C2=O)=O)C(=C3[C@H](C[C@]4(O)CC)O)O)O)C(=O)OC
• InChI: 1S/C22H20O10/c1-3-22(31)6-9(25)12-13(16(22)21(30)32-2)20(29)15-14(19(12)28)17(26)10-7(23)4-5-8(24)11(10)18(15)27/h4-5,9,16,23-25,28-29,31H,3,6H2,1-2H3/t9-,16-,22+/m0/s1
• InChIKey: CIXXANXJCSBTFL-ACHUOPHGSA-N

Properties

• Density: 1.663g/cm³ (Cal.)
• Boiling point: 625.015°C at 760 mmHg (Cal.)
• Flash point: 217.755°C (Cal.)