4-O-Methylcryptochlorophaeic Acid
[CAS# 27587-68-4]

Identification

• Name: 4-O-Methylcryptochlorophaeic Acid
• Synonyms: 3-(2,4-Dimethoxy-6-Pentyl-Benzoyl)Oxy-2,4-Dihydroxy-6-Pentyl-Benzoic Acid; 3-[(2,4-Dimethoxy-6-Pentylphenyl)-Oxomethoxy]-2,4-Dihydroxy-6-Pentylbenzoic Acid; 6-Amyl-3-(2-Amyl-4,6-Dimethoxy-Benzoyl)Oxy-2,4-Dihydroxy-Benzoic Acid
• Molecular Formula: C₂₆H₃₄O₈
• Molecular Weight: 474.55
• CAS Registry Number: 27587-68-4
• SMILES: C1=C(O)C(=C(O)C(=C1CCCCC)C(=O)O)OC(=O)C2=C(C=C(OC)C=C2OC)CCCCC
• InChI: 1S/C26H34O8/c1-5-7-9-11-16-13-18(32-3)15-20(33-4)21(16)26(31)34-24-19(27)14-17(12-10-8-6-2)22(23(24)28)25(29)30/h13-15,27-28H,5-12H2,1-4H3,(H,29,30)
• InChIKey: LWJWHWGMUBQMKG-UHFFFAOYSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 626.202°C at 760 mmHg (Cal.)
• Flash point: 204.017°C (Cal.)