Methyl (1R,2R,4S)-2-Ethyl-2,4,5,7,9-Pentahydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate
[CAS# 79008-78-9]

Identification

• Name: Methyl (1R,2R,4S)-2-Ethyl-2,4,5,7,9-Pentahydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate
• Synonyms: (1R,2R,4S)-2-Ethyl-2,4,5,7,9-Pentahydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester; (1R,2R,4S)-2-Ethyl-2,4,5,7,9-Pentahydroxy-6,11-Diketo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester; 1-Naphthacenecarboxylic Acid, 2-Ethyl-1,2,3,4,6,11-Hexahydro-2,4,5,7,9-Pentahydroxy-6,11-Dioxo-, Methyl Ester, (1R-(1Alpha,2Beta,4Beta))-
• Molecular Formula: C₂₂H₂₀O₉
• Molecular Weight: 428.39
• CAS Registry Number: 79008-78-9
• SMILES: [C@H]4(C1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)[C@@H](O)C[C@]4(O)CC)C(OC)=O
• InChI: 1S/C22H20O9/c1-3-22(30)7-13(25)14-9(17(22)21(29)31-2)6-11-16(19(14)27)20(28)15-10(18(11)26)4-8(23)5-12(15)24/h4-6,13,17,23-25,27,30H,3,7H2,1-2H3/t13-,17-,22+/m0/s1
• InChIKey: MGVHSHMUGGHITN-YOKWENHESA-N

Properties

• Density: 1.594g/cm³ (Cal.)
• Boiling point: 737.277°C at 760 mmHg (Cal.)
• Flash point: 261.235°C (Cal.)