Aklavinone
[CAS# 16234-96-1]

Identification

• Name: Aklavinone
• Synonyms: (1R,2R,4S)-2-Ethyl-2,4,5,7-Tetrahydroxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester; (1R,2R,4S)-2-Ethyl-2,4,5,7-Tetrahydroxy-6,11-Diketo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester; C12424
• Molecular Formula: C₂₂H₂₀O₈
• Molecular Weight: 412.40
• CAS Registry Number: 16234-96-1
• SMILES: [C@H]4(C3=CC2=C(C(C1=C(O)C=CC=C1C2=O)=O)C(=C3[C@H](C[C@]4(O)CC)O)O)C(=O)OC
• InChI: 1S/C22H20O8/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/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22+/m0/s1
• InChIKey: RACGRCLGVYXIAO-YOKWENHESA-N

Properties

• Density: 1.525g/cm³ (Cal.)
• Boiling point: 663.536°C at 760 mmHg (Cal.)
• Flash point: 235.045°C (Cal.)