(5S,6R,7R,8R)-4,4',5,6,6',7,8-Heptahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5,6,7,8-tetrahydro-1,1'-bianthracene-9,9',10,10'-tetrone
[CAS# 88901-69-3]

Identification

• Name: (5S,6R,7R,8R)-4,4',5,6,6',7,8-Heptahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5,6,7,8-tetrahydro-1,1'-bianthracene-9,9',10,10'-tetrone
• Synonyms: (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-, (5S-(5α,6β,7β,8α))-; Alterporriol B; Ap-B 3
• Molecular Formula: C₃₂H₂₆O₁₃
• Molecular Weight: 618.54
• CAS Registry Number: 88901-69-3
• SMILES: O=C1c3c(C(=O)c2cc(O)c(cc12)C)c(O)cc(OC)c3c5c(OC)cc(O)c4C(=O)\C6=C(/C(=O)c45)[C@@H](O)[C@@](O)([C@H](O)[C@H]6O)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-SYEZAVJTSA-N

Properties

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