(3aR,6Z,9R,10aS,11aS)-2,3,3a,10,10a,11alpha-Hexahydro-3,3,6,9,11alpha-Pentamethyl-1H-Dicyclopenta[a,d]Cyclononene-1,5,11(4H,9H)-Trione
[CAS 58298-76-3]

Identification

• Name: (3aR,6Z,9R,10aS,11aS)-2,3,3a,10,10a,11alpha-Hexahydro-3,3,6,9,11alpha-Pentamethyl-1H-Dicyclopenta[a,d]Cyclononene-1,5,11(4H,9H)-Trione
• Synonyms: C09119; Jatrophatrione
• Molecular Formula: C₂₀H₂₆O₃
• Molecular Weight: 314.42
• CAS Registry Number: 58298-76-3
• SMILES: [C@@]13([C@@H](C(CC1=O)(C)C)CC(=O)C(=C/C2=C[C@@H](C[C@@H]2C3=O)C)\C)C
• InChI: 1S/C20H26O3/c1-11-6-13-8-12(2)15(21)9-16-19(3,4)10-17(22)20(16,5)18(23)14(13)7-11/h6,8,11,14,16H,7,9-10H2,1-5H3/b12-8-/t11-,14-,16+,20-/m0/s1
• InChIKey: TYBGBKQPLBAYQG-CJIMKZOCSA-N

Properties

• Density: 1.119g/cm³ (Cal.)
• Boiling point: 485.703°C at 760 mmHg (Cal.)
• Flash point: 208.972°C (Cal.)