Itrocinonide
[CAS# 106033-96-9]

Identification

• Name: Itrocinonide
• Synonyms: Itrocinonide; Itrocinonide [Inn]
• Molecular Formula: C₂₉H₃₈F₂O₉
• Molecular Weight: 568.61
• CAS Registry Number: 106033-96-9
• SMILES: [C@]34([C@H]([C@H]2C(F)([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](O)C3)C[C@H]5O[C@H](O[C@@]45C(O[C@@H](OC(OCC)=O)C)=O)CCC)C
• InChI: 1S/C29H38F2O9/c1-6-8-23-39-22-13-17-18-12-20(30)19-11-16(32)9-10-26(19,4)28(18,31)21(33)14-27(17,5)29(22,40-23)24(34)37-15(3)38-25(35)36-7-2/h9-11,15,17-18,20-23,33H,6-8,12-14H2,1-5H3/t15-,17-,18-,20-,21-,22+,23+,26-,27-,28?,29-/m0/s1
• InChIKey: GCELVROFGZYBHY-ZDJMXOPYSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 625.452°C at 760 mmHg (Cal.)
• Flash point: 332.062°C (Cal.)