Methyl (1S)-2-Ethyl-5,7,12-Trihydroxy-6,11-Dioxo-1,4-Dihydrotetracene-1-Carboxylate
[CAS# 75324-01-5]

Identification

• Name: Methyl (1S)-2-Ethyl-5,7,12-Trihydroxy-6,11-Dioxo-1,4-Dihydrotetracene-1-Carboxylate
• Synonyms: (1S)-2-Ethyl-5,7,12-Trihydroxy-6,11-Dioxo-1,4-Dihydrotetracene-1-Carboxylic Acid Methyl Ester; (1S)-2-Ethyl-5,7,12-Trihydroxy-6,11-Diketo-1,4-Dihydrotetracene-1-Carboxylic Acid Methyl Ester; 1-Naphthacenecarboxylic Acid, 2-Ethyl-1,4,6,11-Tetrahydro-5,7,12-Trihydroxy-6,11-Dioxo-, Methyl Ester, (S)-
• Molecular Formula: C₂₂H₁₈O₇
• Molecular Weight: 394.38
• CAS Registry Number: 75324-01-5
• SMILES: [C@H]4(C1=C(C(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC=C3)O)O)CC=C4CC)C(OC)=O
• InChI: 1S/C22H18O7/c1-3-9-7-8-11-15(13(9)22(28)29-2)21(27)17-16(19(11)25)20(26)14-10(18(17)24)5-4-6-12(14)23/h4-7,13,23,25,27H,3,8H2,1-2H3/t13-/m0/s1
• InChIKey: DUESSPZZBNOZKI-ZDUSSCGKSA-N

Properties

• Density: 1.473g/cm³ (Cal.)
• Boiling point: 560.146°C at 760 mmHg (Cal.)
• Flash point: 196.882°C (Cal.)