4,6-Dihydroxy-2-Methoxy-7-Methyl-1-[(5S,6R,7S,8R)-4,5,6,7,8-Pentahydroxy-2-Methoxy-7-Methyl-9,10-Dioxo-6,8-Dihydro-5H-Anthracen-1-Yl]Anthracene-9,10-Dione
[CAS# 113531-87-6]

Identification

• Name: 4,6-Dihydroxy-2-Methoxy-7-Methyl-1-[(5S,6R,7S,8R)-4,5,6,7,8-Pentahydroxy-2-Methoxy-7-Methyl-9,10-Dioxo-6,8-Dihydro-5H-Anthracen-1-Yl]Anthracene-9,10-Dione
• Synonyms: 4,6-Dihydroxy-2-Methoxy-7-Methyl-1-[(5S,6R,7S,8R)-4,5,6,7,8-Pentahydroxy-9,10-Diketo-2-Methoxy-7-Methyl-6,8-Dihydro-5H-Anthracen-1-Yl]-9,10-Anthraquinone; (1,1'-Bianthracene)-9,9',10,10'-Tetrone, 5,6,7,8-Tetrahydro-4,4',5,6,6',7,8-Heptahydroxy-2,2'-Dimethoxy-7,7'-Dimethyl-, Stereoisomer; Alterporriol A
• Molecular Formula: C₃₂H₂₆O₁₃
• Molecular Weight: 618.55
• CAS Registry Number: 113531-87-6
• SMILES: [C@]6([C@@H](C1=C(C(C2=C(C1=O)C(=C(OC)C=C2O)C3=C(C=C(O)C5=C3C(C4=C(C=C(C(=C4)C)O)C5=O)=O)OC)=O)[C@H](O)[C@H]6O)O)(O)C
• InChI: 1S/C32H26O13/c1-9-5-10-11(6-12(9)33)25(36)17-13(34)7-15(44-3)19(21(17)26(10)37)20-16(45-4)8-14(35)18-22(20)28(39)24-23(27(18)38)29(40)31(42)32(2,43)30(24)41/h5-8,29-31,33-35,40-43H,1-4H3/t29-,30+,31+,32-/m0/s1
• InChIKey: YHXUFRJJYFYRSH-BVEPWEIPSA-N

Properties

• Density: 1.765g/cm³ (Cal.)
• Boiling point: 945.43°C at 760 mmHg (Cal.)
• Flash point: 310.009°C (Cal.)