Thielocin-B3
[CAS# 143716-44-3]

Identification

• Name: Thielocin-B3
• Synonyms: Benzoic Acid, 3-((3-((4-((4-Carboxy-3-Methoxy-2,5,6-Trimethylphenoxy)Carbonyl)-3-Methoxy-2,5,6-Trimehylphenoxy)Carbonyl)-2,6-Dihydroxy-4-Methylphenyl)Methyl)-2,4-Dihydroxy-3,6-Dimethyl-, 1-(4-((4-Carboxy-3-Methoxy-2,5,6-Trimethylphenoxy)Carbonyl)-3-Methoxy-2,5,6-Trimethylphenyl) Ester; Benzoic Acid, 3-((3-((4-((4-Carboxy-3-Methoxy-2,5,6-Trimethylphenoxy)Carbonyl)-3-Methoxy-2,5,6-Trimethylphenoxy)Carbonyl)-2,6-Dihydroxy-4-Methylphenyl)Methyl)-2,4-Dihydroxy-3,6-Dimethyl-, 1-(4-((4-Carboxy-3-Methoxy-2,5,6-Trimethylphenoxy)Carbonyl)-3-Methoxy-2,5,6-Trimethylphenyl) Ester; Thielocin B3
• Molecular Formula: C₆₂H₆₆O₂₀
• Molecular Weight: 1131.19
• CAS Registry Number: 143716-44-3
• SMILES: C4=C(CC1=C(C(=C(CC(=O)O)C(=C1O)C)C2=C(C(=C(C(=C2C)OC)C(=O)OC3=C(C(=C(C(=C3C)OC)C(=O)O)C)C)C)C)O)C(=C(C(=C4O)C)C(=O)OC5=C(C(=C(C(=C5C)OC)C(=O)OC6=C(C(=C(C(=C6C)OC)C(=O)O)C)C)C)C)O
• InChI: 1S/C62H66O20/c1-22-23(2)45(61(74)81-51-27(6)24(3)43(58(69)70)55(77-16)33(51)12)54(76-15)32(11)41(22)47-37(21-40(64)65)30(9)48(66)38(50(47)68)19-36-20-39(63)31(10)42(49(36)67)60(73)80-53-29(8)26(5)46(57(79-18)35(53)14)62(75)82-52-28(7)25(4)44(59(71)72)56(78-17)34(52)13/h20,63,66-68H,19,21H2,1-18H3,(H,64,65)(H,69,70)(H,71,72)
• InChIKey: SJKGYSSWTDGUHO-UHFFFAOYSA-N

Properties

• Density: 1.323g/cm³ (Cal.)
• Boiling point: 1275°C at 760 mmHg (Cal.)
• Flash point: 350.5°C (Cal.)