4-(8-Methyl-4,7-Dioxo-1,6-Dioxaspiro[4.4]Nona-2,8-Dien-3-Yl)Cyclohexanecarbaldehyde
[CAS 185853-14-9]

Identification

• Name: 4-(8-Methyl-4,7-Dioxo-1,6-Dioxaspiro[4.4]Nona-2,8-Dien-3-Yl)Cyclohexanecarbaldehyde
• Synonyms: Nidulal
• Molecular Formula: C₁₅H₁₆O₅
• Molecular Weight: 276.28
• CAS Registry Number: 185853-14-9
• SMILES: O=CC3CCC(C=2C(=O)C/1(OC(=O)\C(=C\1)C)OC=2)CC3
• InChI: 1S/C15H16O5/c1-9-6-15(20-14(9)18)13(17)12(8-19-15)11-4-2-10(7-16)3-5-11/h6-8,10-11H,2-5H2,1H3
• InChIKey: NQSKLGFKNUGTFE-UHFFFAOYSA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 512.375°C at 760 mmHg (Cal.)
• Flash point: 230.836°C (Cal.)
• Refractive index: 1.564 (Cal.)

References

• (1): Hert et al.. Quantifying biogenic bias in screening libraries, Nature Chemical Biology, 2009