Citlalitrione
[CAS# 116368-91-3]

Identification

• Name: Citlalitrione
• Synonyms: Cyclopenta(4',5')Cyclonona(1',2':1,5)Cyclopent(1,2-B)Oxirene-4,8,9(5H)-Trione, 5A,6,7,8A,9A,10,11,11A-Octahydro-3,6,6,8A,11-Pentamethyl-, (5Ar-(1Ar*,5Ar*,8As*,9As*,11R*,11As*))-
• Molecular Formula: C₂₀H₂₆O₄
• Molecular Weight: 330.42
• CAS Registry Number: 116368-91-3
• SMILES: [C@]12\4O[C@H]1[C@@H](C[C@@H]2C(=O)[C@]3([C@@H](C(CC3=O)(C)C)CC(=O)C(=C4)/C)C)C
• InChI: 1S/C20H26O4/c1-10-6-12-16(23)19(5)14(18(3,4)9-15(19)22)7-13(21)11(2)8-20(12)17(10)24-20/h8,10,12,14,17H,6-7,9H2,1-5H3/b11-8+/t10-,12-,14-,17+,19+,20-/m1/s1
• InChIKey: AHQGAOBRELESIP-KDBIIAICSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 488.1±45.0°C at 760 mmHg (Cal.)
• Flash point: 214.4±28.8°C (Cal.)