(3S,3'S,4S,4'R,4aR,4'aR)-2,2',3,3',4,4',9,9'-Octahydro-1,1',4,4',8,8'-Hexahydroxy-3,3'-Dimethyl-9,9'-Dioxo-7,7'-Bi(4aH-Xanthene)-4a,4'alpha-Dicarboxylic Acid Dimethyl Ester
[CAS# 60687-07-2]

Identification

• Name: (3S,3'S,4S,4'R,4aR,4'aR)-2,2',3,3',4,4',9,9'-Octahydro-1,1',4,4',8,8'-Hexahydroxy-3,3'-Dimethyl-9,9'-Dioxo-7,7'-Bi(4aH-Xanthene)-4a,4'alpha-Dicarboxylic Acid Dimethyl Ester
• Synonyms: (3S,4S,4Ar)-7-[(5R,6S,10Ar)-1,5,9-Trihydroxy-10A-Methoxycarbonyl-6-Methyl-8-Oxo-6,7-Dihydro-5H-Xanthen-2-Yl]-4,8,9-Trihydroxy-3-Methyl-1-Oxo-3,4-Dihydro-2H-Xanthene-4A-Carboxylic Acid Methyl Ester; (3S,4S,4Ar)-7-[(5R,6S,10Ar)-10A-Carbomethoxy-1,5,9-Trihydroxy-8-Keto-6-Methyl-6,7-Dihydro-5H-Xanthen-2-Yl]-4,8,9-Trihydroxy-1-Keto-3-Methyl-3,4-Dihydro-2H-Xanthene-4A-Carboxylic Acid Methyl Ester
• Molecular Formula: C₃₂H₃₀O₁₄
• Molecular Weight: 638.58
• CAS Registry Number: 60687-07-2
• SMILES: [C@]12(OC6=C(C(=C1C(=O)C[C@@H]([C@@H]2O)C)O)C(=C(C5=C(O)C4=C(O[C@]3([C@H](O)[C@H](CC(=O)C3=C4O)C)C(OC)=O)C=C5)C=C6)O)C(OC)=O
• InChI: 1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,35-40H,9-10H2,1-4H3/t11-,12-,27-,28+,31+,32+/m0/s1
• InChIKey: NFZJAYYORNVZNI-XIBZLVKHSA-N

Properties

• Density: 1.677g/cm³ (Cal.)
• Boiling point: 846.044°C at 760 mmHg (Cal.)
• Flash point: 273.652°C (Cal.)