Columbianetin
[CAS# 1147-29-1]

Identification

• Name: Columbianetin
• Synonyms: 8-(1-Hydroxy-1-Methyl-Ethyl)-8,9-Dihydrofuro[2,3-H]Chromen-2-One; 8-(1-Hydroxy-1-Methylethyl)-8,9-Dihydrofuro[2,3-H]Chromen-2-One; 2H-Furo(2,3-H)-1-Benzopyran-2-One, 8,9-Dihydro-8-(1-Hydroxy-1-Methylethyl)-
• Molecular Formula: C₁₄H₁₄O₄
• Molecular Weight: 246.26
• CAS Registry Number: 1147-29-1
• SMILES: C3=C1OC(C(O)(C)C)CC1=C2OC(=O)C=CC2=C3
• InChI: 1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3
• InChIKey: YRAQEMCYCSSHJG-UHFFFAOYSA-N

Properties

• Density: 1.335g/cm³ (Cal.)
• Boiling point: 443.01°C at 760 mmHg (Cal.)
• Flash point: 171.938°C (Cal.)

References

• (1): Harris Eric B.J., Banwell Martin G., Willis Anthony C.. Protecting group free syntheses of (±)-columbianetin and (±)-angelmarin, Tetrahedron Letters, 2011