Cinerubin X
[CAS# 104700-84-7]

Identification

• Name: Cinerubin X
• Synonyms: Methyl 2-Ethyl-2,5,7,10-Tetrahydroxy-4-[5-[4-Hydroxy-6-Methyl-5-(6-Methyl-5-Oxo-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylate; 2-Ethyl-2,5,7,10-Tetrahydroxy-4-[[5-[[4-Hydroxy-6-Methyl-5-[(6-Methyl-5-Oxo-2-Tetrahydropyranyl)Oxy]-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,11-Dioxo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester; 2-Ethyl-2,5,7,10-Tetrahydroxy-4-[5-[4-Hydroxy-5-(5-Keto-6-Methyl-Tetrahydropyran-2-Yl)Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,11-Diketo-3,4-Dihydro-1H-Tetracene-1-Carboxylic Acid Methyl Ester
• Molecular Formula: C₄₀H₄₈O₁₆
• Molecular Weight: 784.81
• CAS Registry Number: 104700-84-7
• SMILES: C1=C7C(=C(O)C3=C1C(=O)C2=C(O)C=CC(=C2C3=O)O)C(OC6OC(C(OC5OC(C(OC4OC(C(=O)CC4)C)C(O)C5)C)CC6)C)CC(O)(C7C(OC)=O)CC
• InChI: 1S/C40H48O16/c1-6-40(49)15-26(30-19(34(40)39(48)50-5)13-20-31(36(30)46)37(47)33-23(43)8-7-22(42)32(33)35(20)45)55-27-12-10-25(17(3)52-27)54-29-14-24(44)38(18(4)53-29)56-28-11-9-21(41)16(2)51-28/h7-8,13,16-18,24-29,34,38,42-44,46,49H,6,9-12,14-15H2,1-5H3
• InChIKey: MOJNCDRIHYDVBS-UHFFFAOYSA-N

Properties

• Density: 1.487g/cm³ (Cal.)
• Boiling point: 904.421°C at 760 mmHg (Cal.)
• Flash point: 273.377°C (Cal.)