Deoxylimonin
[CAS# 989-23-1]

Identification

• Name: Deoxylimonin
• Synonyms: Ai3-37933; Limonoic Acid, 14,15-Deepoxy-14,15-Dehydro-, Di-Delta-Lactone; Nsc 314317
• Molecular Formula: C₂₆H₃₀O₇
• Molecular Weight: 454.52
• CAS Registry Number: 989-23-1
• SMILES: C1=COC=C1C2C6(C(=CC(=O)O2)C3(C(C45C(CC3=O)C(C)(C)OC4CC(=O)OC5)CC6)C)C
• InChI: 1S/C26H30O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,19,22H,5,7,9,11,13H2,1-4H3
• InChIKey: QUTATOGBENCRSS-UHFFFAOYSA-N

Properties

• Density: 1.324g/cm³ (Cal.)
• Boiling point: 660.552°C at 760 mmHg (Cal.)
• Flash point: 353.289°C (Cal.)