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Crystal structure of olivetolic acid: a natural product from Cetrelia sanguinea (Schaer.).

ABSTRACT: The title compound, C12H16O4 (systematic name: 2,4-dihy-droxy-6-pentyl-benzoic acid) is a natural product isolated from C. sanguinea (Schaer.) and is reported to have various pharmacological activities. The mol-ecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.096?Å) and features an intra-molecular O-H?O hydrogen bond. In the crystal, each olivetolic acid mol-ecule is connected to three neighbours via O-H?O hydrogen bonds, generating (10-1) sheets. This crystal is essentially isostructural with a related resorcinolic acid with a longer alkyl chain.

SUBMITTER: Ismed F

PROVIDER: S-EPMC5095839 | biostudies-other | 2016 Nov

REPOSITORIES: biostudies-other

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Crystal structure of olivetolic acid: a natural product from Cetrelia sanguinea (Schaer.).

Ismed Friardi F Farhan Aulia A Bakhtiar Amri A Zaini Erizal E Nugraha Yuda Prasetya YP Dwichandra Putra Okky O Uekusa Hidehiro H

Acta crystallographica. Section E, Crystallographic communications 20161018 Pt 11

The title compound, C12H16O4 (systematic name: 2,4-dihy-droxy-6-pentyl-benzoic acid) is a natural product isolated from C. sanguinea (Schaer.) and is reported to have various pharmacological activities. The mol-ecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.096 Å) and features an intra-molecular O-H⋯O hydrogen bond. In the crystal, each olivetolic acid mol-ecule is connected to three neighbours via O-H⋯O hydrogen bonds, gene ...[more]

PMID: 27840714

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