• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

(3,5,5,6,8,8-六甲基-5,6,7,8-四氢萘-2-基)甲醇:合成麝香香料AHTN的一种可能代谢物。

(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra-hydro-naphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN.

作者信息

Faust Rüdiger, Nauroozi Djawed, Bruhn Clemens, Koch Britta, Kuhlich Paul, Piechotta Christian, Nehls Irene

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1462-3. doi: 10.1107/S1600536811018009. Epub 2011 May 20.

DOI:10.1107/S1600536811018009
PMID:21754834
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120335/
Abstract

The title compound (AHTN-OH), C(17)H(26)O, was prepared in order to provide standard materials for the qualitative and quanti-tative analysis of environmental pollutants. The mol-ecule possesses a chiral C atom, although the structure determination was performed on racemic material, expressed in the structure as disordered chiral sites. The asymmetric unit consists of four AHTN-OH mol-ecules containing an hy-droxy group and forming a tetra-meric cyclic motif built up by four strong hydrogen bonds between these hy-droxy groups and additionally by two weak C-H⋯π inter-actions. Furthermore, these tetra-mers are linked via very weak C-H⋯π inter-actions, forming chains along the c axis.

摘要

制备标题化合物(AHTN-OH,C₁₇H₂₆O)是为了提供用于环境污染物定性和定量分析的标准物质。该分子具有一个手性碳原子,尽管结构测定是在消旋物质上进行的,在结构中表示为无序的手性位点。不对称单元由四个含有羟基的AHTN-OH分子组成,通过这些羟基之间的四个强氢键以及另外两个弱C-H⋯π相互作用形成一个四聚体环状结构。此外,这些四聚体通过非常弱的C-H⋯π相互作用连接,沿c轴形成链状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f64/3120335/2d3a3c18742f/e-67-o1462-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f64/3120335/2d3a3c18742f/e-67-o1462-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f64/3120335/2d3a3c18742f/e-67-o1462-fig1.jpg

相似文献

1
(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra-hydro-naphthalen-2-yl)methanol: a possible metabolite of the synthetic musk fragrance AHTN.(3,5,5,6,8,8-六甲基-5,6,7,8-四氢萘-2-基)甲醇:合成麝香香料AHTN的一种可能代谢物。
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1462-3. doi: 10.1107/S1600536811018009. Epub 2011 May 20.
2
Crystal structure of a supra-molecular lithium complex of --butyl-calix[4]arene.对叔丁基杯[4]芳烃超分子锂配合物的晶体结构
Acta Crystallogr E Crystallogr Commun. 2018 Apr 17;74(Pt 5):575-579. doi: 10.1107/S2056989018001834. eCollection 2018 May 1.
3
Crystal structures of three N-(aryl-sulfon-yl)-4-fluoro-benzamides.三种N-(芳基磺酰基)-4-氟苯甲酰胺的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 Mar 31;72(Pt 4):575-82. doi: 10.1107/S2056989016005089. eCollection 2016 Apr 1.
4
4a-Hy-droxy-9-(2-meth-oxy-phen-yl)-4,4a,5,6,7,8,9,9a-octa-hydro-3H-xanthene-1,8(2H)-dione.4a-羟基-9-(2-甲氧基苯基)-4,4a,5,6,7,8,9,9a-八氢-3H-占吨-1,8(2H)-二酮
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 4;67(Pt 1):o35-6. doi: 10.1107/S1600536810050191.
5
1-(2-Hy-droxy-eth-yl)pyrrole-2,5-dione.1-(2-羟乙基)吡咯-2,5-二酮
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o970. doi: 10.1107/S1600536812008938. Epub 2012 Mar 7.
6
Mol-ecular and crystal structure of gossypol tetra-methyl ether with an unknown solvate.含有未知溶剂化物的棉酚四甲醚的分子结构和晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Jan 21;71(Pt 2):184-7. doi: 10.1107/S2056989015000171. eCollection 2015 Feb 1.
7
Absolute configuration of xerophenone A.干苯酮A的绝对构型。
Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):o1451-2. doi: 10.1107/S1600536812015267. Epub 2012 Apr 21.
8
Tetra-kis{μ(3)-2-[(2-hy-droxy-eth-yl)amino]-ethano-lato}tetra-kis-[chloridonickel(II)] methanol solvate.四-双{μ(3)-2-[(2-羟乙基)氨基]乙醇酸根合}四-双-[氯化镍(II)]甲醇溶剂合物
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):m861. doi: 10.1107/S1600536810024384.
9
3-Hy-droxy-4-phenyl-1-(prop-2-en-1-yl)-2,3,4,5-tetra-hydro-1H-1,5-benzodiazepin-2-one.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o238. doi: 10.1107/S1600536811054456. Epub 2011 Dec 23.
10
2-[6,8-Dibromo-3-(4-hy-droxy-cyclo-hex-yl)-1,2,3,4-tetra-hydro-quinazolin-2-yl]phenol methanol 0.25-solvate.2 - [6,8 - 二溴 - 3 - (4 - 羟基 - 环己基) - 1,2,3,4 - 四氢喹唑啉 - 2 - 基]苯酚甲醇0.25溶剂合物
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o808-9. doi: 10.1107/S1600536811007987. Epub 2011 Mar 9.

引用本文的文献

1
1-(4-Bromo-3,5,5,6,8,8-hexa-methyl-5,6,7,8-tetra-hydro-naphthalen-2-yl)ethan-1-one: a precursor for phase-I metabolite of AHTN.1-(4-溴-3,5,5,6,8,8-六甲基-5,6,7,8-四氢萘-2-基)乙-1-酮:AHTN I相代谢产物的前体。
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 16;69(Pt 4):o545. doi: 10.1107/S1600536813006934. Print 2013 Apr 1.

本文引用的文献

1
3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra-hydro-2-naphthoic acid (AHTN-COOH).3,5,5,6,8,8-六甲基-5,6,7,8-四氢-2-萘甲酸(AHTN-COOH)。
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 30;66(Pt 10):o2687. doi: 10.1107/S1600536810038572.
2
Deacetyl- tenuazonic acid.脱乙酰基细交链孢菌酮酸
Acta Crystallogr Sect E Struct Rep Online. 2009 May 7;65(Pt 6):o1201. doi: 10.1107/S1600536809015372.
3
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
4
Biotransformation of the polycyclic musks HHCB and AHTN and metabolite formation by fungi occurring in freshwater environments.多环麝香HHCB和AHTN在淡水环境中真菌作用下的生物转化及代谢物形成
Environ Sci Technol. 2007 Aug 1;41(15):5395-402. doi: 10.1021/es0711462.
5
Nitromusk and polycyclic musk compounds as long-term inhibitors of cellular xenobiotic defense systems mediated by multidrug transporters.硝基麝香和多环麝香化合物作为多药转运蛋白介导的细胞外源性防御系统的长期抑制剂。
Environ Health Perspect. 2005 Jan;113(1):17-24. doi: 10.1289/ehp.7301.