A new rosane-type diterpenoid from Stachys parviflora and its density functional theory studies.
A new rosane-type diterpenoid (1) has been isolated from the chloroform fraction of Stachys parviflora. Structure of 1 was proposed based on 1D and 2D NMR techniques including correlation spectroscopy, heteronuclear multiple quantum coherence, heteronuclear multiple bond correlation and nuclear Over...
| Publicado en: | Natural Product Research Vol. 29; no. 9; pp. 813 - 820 |
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| Autores principales: | , , , , , , , |
| Formato: | Journal Article |
| Publicado: |
Taylor & Francis Ltd
May2015
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=ccm&AN=101793475&site=ehost-live header: @attributes: shortDbName: ccm uiTerm: 101793475 longDbName: CINAHL Complete uiTag: AN controlInfo: bkinfo: dissinfo: jinfo: jid: 14786419 RFT jtl: Natural Product Research issn: 14786419 maglogo: Y pubinfo: dt: May2015 vid: 29 iid: 9 pid: 377 pub: Taylor & Francis Ltd place: Philadelphia, Pennsylvania artinfo: ui: 101793475 10.1080/14786419.2014.987775 101793475 ppf: 813 ppct: 7 formats: tig: atl: A new rosane-type diterpenoid from Stachys parviflora and its density functional theory studies. aug: au: Farooq, Umar Ayub, Khurshid Hashmi, Muhammad Ali Sarwar, Rizwana Khan, Afsar Ali, Mumtaz Ahmad, Manzoor Khan, Ajmal affil: Department of Chemistry, COMSATS Institute of Information Technology, Abbottabad22060, Pakistan sug: ab: A new rosane-type diterpenoid (1) has been isolated from the chloroform fraction of Stachys parviflora. Structure of 1 was proposed based on 1D and 2D NMR techniques including correlation spectroscopy, heteronuclear multiple quantum coherence, heteronuclear multiple bond correlation and nuclear Overhauser effect spectroscopy. A theoretical model for the electronic and spectroscopic properties of compound 1 is also developed. The geometries and electronic properties were modelled at B3LYP/6-31G* and the theoretical scaled spectroscopic data correlate nicely with the experimental data. pubtype: Academic Journal doctype: Journal Article ougenre: Article language: English refInfo: holdings: @attributes: islocal: N |
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