[(7R)-7-Methyl-6,8-Dioxo-3-[(E)-Prop-1-Enyl]Isochromen-7-Yl] 2,4-Dihydroxy-6-Methylbenzoate
[CAS# 3403-71-2]

Identification

• Name: [(7R)-7-Methyl-6,8-Dioxo-3-[(E)-Prop-1-Enyl]Isochromen-7-Yl] 2,4-Dihydroxy-6-Methylbenzoate
• Synonyms: [(7R)-7-Methyl-6,8-Dioxo-3-[(E)-Prop-1-Enyl]Isochromen-7-Yl] 2,4-Dihydroxy-6-Methyl-Benzoate; 2,4-Dihydroxy-6-Methylbenzoic Acid [(7R)-7-Methyl-6,8-Dioxo-3-[(E)-Prop-1-Enyl]-7-Isochromenyl] Ester; 2,4-Dihydroxy-6-Methyl-Benzoic Acid [(7R)-6,8-Diketo-7-Methyl-3-[(E)-Prop-1-Enyl]Isochromen-7-Yl] Ester
• Molecular Formula: C₂₁H₁₈O₇
• Molecular Weight: 382.37
• CAS Registry Number: 3403-71-2
• SMILES: [C@]2(C(C1=COC(=CC1=CC2=O)/C=C/C)=O)(OC(C3=C(C=C(O)C=C3O)C)=O)C
• InChI: 1S/C21H18O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-10,22-23H,1-3H3/b5-4+/t21-/m1/s1
• InChIKey: ZLULUXWJVBHEMS-KTBYTZPXSA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 645.495°C at 760 mmHg (Cal.)
• Flash point: 231.102°C (Cal.)

References

• (1): Locci R, Merlini L, Nasini G, Rogers Locci J. Mitorubrinic acid and related compounds from a strain of Penicillium funiculosum Thom, Giornale di Microbiologia, 1967, 15, 93-102
• (2): Jack Li-Yang Chen, Jonathan Sperry, Nancy Y. Ip and Margaret A. Brimble. Natural products targeting telomere maintenance, Med. Chem. Commun., 2011, 2, 229.