Actinorhodin
[CAS# 1397-77-9]

Identification

• Name: Actinorhodin
• Synonyms: 2-[(1R,3S)-8-[(1R,3S)-3-(Carboxymethyl)-5,10-Dihydroxy-6,9-Diketo-1-Methyl-3,4-Dihydro-1H-Benzo[G]Isochromen-8-Yl]-5,10-Dihydroxy-6,9-Diketo-1-Methyl-3,4-Dihydro-1H-Benzo[G]Isochromen-3-Yl]Acetic Acid; 2-[(1R,3S)-8-[(1R,3S)-3-(Carboxymethyl)-5,10-Dihydroxy-1-Methyl-6,9-Dioxo-3,4-Dihydro-1H-Benzo[G]Isochromen-8-Yl]-5,10-Dihydroxy-1-Methyl-6,9-Dioxo-3,4-Dihydro-1H-Benzo[G]Isochromen-3-Yl]Ethanoic Acid; [3'-Carboxymethyl-5,5',10,10'-Tetrahydroxy-1,1'-Dimethyl-6,6',9,9'-Tetraoxo-3,3',4,4'6,6'9,9'-Octahydro-1H,1'H-8,8'-Bi(Benzo[G]Isochromen)-3-Yl]Acetic Acid
• Molecular Formula: C₃₂H₂₆O₁₄
• Molecular Weight: 634.55
• CAS Registry Number: 1397-77-9
• SMILES: [C@H]6(C2=C(C(=C1C(C=C(C(C1=C2O)=O)C4=CC(C3=C(C5=C(C(=C3C4=O)O)[C@H](O[C@@H](C5)CC(=O)O)C)O)=O)=O)O)C[C@H](O6)CC(=O)O)C
• InChI: 1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,41-44H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1
• InChIKey: FXTIILIJTTYSLT-WYUUTHIRSA-N

Properties

• Density: 1.633g/cm³ (Cal.)
• Boiling point: 918.506°C at 760 mmHg (Cal.)
• Flash point: 299.947°C (Cal.)