Trinactin
[CAS# 7561-71-9]

Identification

• Name: Trinactin
• Synonyms: Trinactin; 5,14,23-Tridemethyl-5,14,23-Triethylnonactin
• Molecular Formula: C₄₃H₇₀O₁₂
• Molecular Weight: 779.02
• CAS Registry Number: 7561-71-9
• SMILES: [C@H]15O[C@H](CC1)C[C@H](OC(=O)[C@@H]([C@@H]2O[C@@H](CC2)C[C@@H](OC(=O)[C@H]([C@H]3O[C@H](CC3)C[C@H](OC(=O)[C@@H]([C@@H]4O[C@@H](CC4)C[C@@H](OC(=O)[C@H]5C)CC)C)CC)C)C)C)CC
• InChI: 1S/C43H70O12/c1-9-29-21-33-13-17-36(50-33)25(5)40(44)48-24(4)20-32-12-16-37(49-32)26(6)41(45)53-30(10-2)22-34-14-18-39(51-34)28(8)43(47)55-31(11-3)23-35-15-19-38(52-35)27(7)42(46)54-29/h24-39H,9-23H2,1-8H3/t24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,39-/m0/s1
• InChIKey: DFQMKYUSAALDDY-MQEBUAKTSA-N

Properties

• Density: 1.024g/cm³ (Cal.)
• Boiling point: 909.68°C at 760 mmHg (Cal.)
• Flash point: 356.019°C (Cal.)