4-O-methylcryptochlorophaeic acid structure

4-O-methylcryptochlorophaeic acid

3-(2,4-dimethoxy-6-pentylbenzoyl)oxy-2,4-dihydroxy-6-pentylbenzoic acid

Also Known As: 4-O-Methylcryptochlorophaeic acid|3-(2,4-dimethoxy-6-pentylbenzoyl)oxy-2,4-dihydroxy-6-pentylbenzoic acid|Benzoic acid, 3-((2,4-dimethoxy-6-pentylbenzoyl)oxy)-2,4-dihydroxy-6-pentyl-|3-[(2,4-Dimethoxy-6-pentylbenzoyl)oxy]-2,4-dihydroxy-6-pentylbenzoic acid|Benzoic acid,3-[(2,4-dimethoxy-6-pentylbenzoyl)oxy]-2,4-dihydroxy-6-pentyl-

CAS: 27587-68-4
Molecular Formula C26H34O8
Molecular Weight 474.22537 g/mol
LogP 5.4978
Topological Polar Surface Area 122.52 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
Rotatable Bonds 13
Exact Mass 474.22537
Monoisotopic Mass 474.22537
Heavy Atoms 34
Complexity 1012.5907

Chemical Identifiers

CAS Number 27587-68-4
SMILES CCCCCC1=CC(=C(C(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2OC)OC)CCCCC)O

Product Overview

4-O-methylcryptochlorophaeic acid (CAS 27587-68-4), with molecular formula C26H34O8 and molecular weight 474.22537 g/mol. IUPAC: 3-(2,4-dimethoxy-6-pentylbenzoyl)oxy-2,4-dihydroxy-6-pentylbenzoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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