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Vol. 25 No. 9 (2013): Vol 25 Issue 9

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Chemical Composition of the Essential Oil from Nepeta macrosiphon Boiss. Growing Wild in Iran by Different Extraction Methods and Studies on the Quantitative Relationship Between the Retention Indices of Essential Oils and their Molecular Structures

https://doi.org/10.14233/ajchem.2013.14079
Parviz Aberoomand Azar
Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran
Karim Zare
Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran
Mohammad Saber-Tehrani
Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran
Azizolah Jafari Kokhedan
Department of Biology, Basic Science Faculty, University ofYasouj,Yasouj, Iran
Azam Vafaei
Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran
Mehdi Nekoei
Department of Chemistry, Shahrood Branch, Islamic Azad University, Shahrood, Iran
Kambiz Larijani
Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran

Corresponding Author(s) : Azam Vafaei

a.vafaei11@yahoo.com

Asian Journal of Chemistry, Vol. 25 No. 9 (2013): Vol 25 Issue 9

Abstract

Hydrodistillation, solvent free microwave extraction and solid phase microextraction methods has been applied to extraction of essential oil from Nepeta macrosiphon growing in Iran. Spathulenol (28.8, 32.28 and 7.68) and b-caryophyllene (9.6,5.83 and 15.19) were the main compounds in the essential oil, respectively. High amount of sesquiterpenes and low quantity of hydrocarbon monoterpenes were identified in the essential oils. Then a simple, strong, descriptive and interpretable model, based on a quantitative structure-retention relationship is developed using stepwise multiple linear regression (SW-MLR) approach for prediction of the retention index (RI) of Nepeta macrosiphon essential oil. A model with low prediction error (2.071 %) and good coefficient of determination (0.982) was obtained. This model was used for the prediction of the RI values of some essential oil components which were not used in the modeling procedure.

Keywords

Nepeta macrosiphon Spathulenol Quantitative structure-retention relationship Stepwise multiple linear regression
Aberoomand Azar, P., Zare, K., Saber-Tehrani, M., Jafari Kokhedan, A., Vafaei, A., Nekoei, M., & Larijani, K. (2013). Chemical Composition of the Essential Oil from Nepeta macrosiphon Boiss. Growing Wild in Iran by Different Extraction Methods and Studies on the Quantitative Relationship Between the Retention Indices of Essential Oils and their Molecular Structures. Asian Journal of Chemistry, 25(9), 4741–4746. https://doi.org/10.14233/ajchem.2013.14079
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