(2S,3aR,9bR)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one
[CAS# 30270-60-1]

Identification

• Name: (2S,3aR,9bR)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one
• Synonyms: C09953; Monocerin; Acon0_000652
• Molecular Formula: C₁₆H₂₀O₆
• Molecular Weight: 308.33
• CAS Registry Number: 30270-60-1
• SMILES: [C@H]12O[C@H](C[C@H]1OC(=O)C3=C(C(=C(C=C23)OC)OC)O)CCC
• InChI: 1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11+,14+/m0/s1
• InChIKey: VAYQNUBOZLPGDH-OLXJLDBKSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 506.669°C at 760 mmHg (Cal.)
• Flash point: 187.505°C (Cal.)

References

• (1): Fujita Morifumi, Mori Kazuhiro, Shimogaki Mio, Sugimura Takashi. Asymmetric Synthesis of 4,8-Dihydroxyisochroman-1-one Polyketide Metabolites Using Chiral Hypervalent Iodine(III), Organic Letters, 2012