(1R,2R)-2-Ethyl-2,5,7-trihydroxy-4,6,11-triketo-1,3-dihydrotetracene-1-carboxylic acid methyl ester
[CAS# 116235-59-7]

Identification

• Name: (1R,2R)-2-Ethyl-2,5,7-trihydroxy-4,6,11-triketo-1,3-dihydrotetracene-1-carboxylic acid methyl ester
• Synonyms: (1R,2R)-2-Ethyl-2,5,7-Trihydroxy-4,6,11-Trioxo-1,3-Dihydrotetracene-1-Carboxylic Acid Methyl Ester; (1R,2R)-2-Ethyl-2,5,7-Trihydroxy-4,6,11-Triketo-1,3-Dihydrotetracene-1-Carboxylic Acid Methyl Ester; C12423
• Molecular Formula: C₂₂H₁₈O₈
• Molecular Weight: 410.38
• CAS Registry Number: 116235-59-7
• SMILES: [C@H]4(C1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O)C(=O)C[C@]4(O)CC)C(OC)=O
• InChI: 1S/C22H18O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,17,23,27,29H,3,8H2,1-2H3/t17-,22+/m0/s1
• InChIKey: MHAXMIHGEZOCTQ-HTAPYJJXSA-N

Properties

• Density: 1.521g/cm³ (Cal.)
• Boiling point: 663.569°C at 760 mmHg (Cal.)
• Flash point: 235.992°C (Cal.)