• 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

(2S,4aR,6aR,7R,9S,10aS,10bR)-7-羧基-2-(3-呋喃基)-6a,10b-二甲基-4,10-二氧代全氢苯并[f]异色烯-9-基乙酸酯

(2S,4aR,6aR,7R,9S,10aS,10bR)-7-Carb-oxy-2-(3-fur-yl)-6a,10b-dimethyl-4,10-dioxoperhydro-benzo[f]isochromen-9-yl acetate.

作者信息

Carvalho Paulo, Kutrzeba Lukasz M, Zjawiony Jordan K, Avery Mitchell A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 6;65(Pt 3):o471-2. doi: 10.1107/S1600536809002074.

DOI:10.1107/S1600536809002074
PMID:21582142
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968482/
Abstract

The asymmetric unit of the title compound, C(22)H(26)O(8), contains two crystallographically independent mol-ecules with closely comparable conformations (r.m.s. overlay = 0.54 Å for 30 non-H atoms). All six-membered rings display chair conformations, with a slight distortion for the lactone ring. The mol-ecules are connected by O-H⋯O hydrogen bonds into chains along [010], with the independent mol-ecules segregated into separate chains. The two mol-ecules in the asymmetric unit face each other in a head-to-tail fashion, with the furan ring of one mol-ecule turned towards the carboxylic acid terminal of the other mol-ecule.

摘要

标题化合物C(22)H(26)O(8)的不对称单元包含两个晶体学独立分子，其构象密切可比（30个非氢原子的均方根重叠为0.54 Å）。所有六元环均呈椅式构象，内酯环略有扭曲。分子通过O—H⋯O氢键沿[010]方向连接成链，独立分子分隔在不同的链中。不对称单元中的两个分子以头对尾的方式相互面对，一个分子的呋喃环朝向另一个分子的羧酸末端。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5dd/2968482/3b7c079367a0/e-65-0o471-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5dd/2968482/3b7c079367a0/e-65-0o471-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c5dd/2968482/3b7c079367a0/e-65-0o471-fig1.jpg

相似文献

1
(2S,4aR,6aR,7R,9S,10aS,10bR)-7-Carb-oxy-2-(3-fur-yl)-6a,10b-dimethyl-4,10-dioxoperhydro-benzo[f]isochromen-9-yl acetate.(2S,4aR,6aR,7R,9S,10aS,10bR)-7-羧基-2-(3-呋喃基)-6a,10b-二甲基-4,10-二氧代全氢苯并[f]异色烯-9-基乙酸酯
Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 6;65(Pt 3):o471-2. doi: 10.1107/S1600536809002074.
2
7-Deacetyl-gedunin.7-脱乙酰基格杜宁
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 18;67(Pt 1):o158-9. doi: 10.1107/S1600536810052037.
3
Unusual hemiacetal structure derived from Salvinorin A.源自鼠尾草酚A的不寻常半缩醛结构。
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 28;64(Pt 7):o1370-1. doi: 10.1107/S160053680800144X.
4
Xyloccensin L.木通辛素L
Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 24;66(Pt 8):o2111-2. doi: 10.1107/S1600536810028527.
5
Salvinorin B meth-oxy-methyl ether.萨尔维诺灵B甲氧基甲基醚
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3225-6. doi: 10.1107/S1600536812043449. Epub 2012 Oct 27.
6
(2S,3R,4S,4aR)-2,3,4,7-Tetra-hydroxy-3,4,4a,5-tetra-hydro-[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one hemihydrate.（2S，3R，4S，4aR）-2,3,4,7-四羟基-3,4,4a,5-四氢-[1,3]二氧杂环戊烯并[4,5-j]菲啶-6（2H）-酮半水合物
Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):o9-o10. doi: 10.1107/S1600536812048763. Epub 2012 Dec 5.
7
(3S,3aS,5aS,7S,8S,10aS,10bR)-7,8-Dihydr-oxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-deca-hydro-cyclo-hepta-[e]indene-3a(1H)-carboxylic acid.(3S,3aS,5aS,7S,8S,10aS,10bR)-7,8-二羟基-3-异丙基-5a,8-二甲基-2,3,4,5,5a,6,7,8,10a,10b-十氢环庚并[e]茚-3a(1H)-羧酸
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 28;64(Pt 7):o1348-9. doi: 10.1107/S1600536808018941.
8
4-(4-Chloro-phen-yl)-6-hydr-oxy-5-(2-thienyl-carbonyl)-6-(trifluoro-meth-yl)-3,4,5,6-tetra-hydro-pyrimidin-2(1H)-one monohydrate.4-（4-氯苯基）-6-羟基-5-（2-噻吩羰基）-6-（三氟甲基）-3,4,5,6-四氢嘧啶-2（1H）-酮一水合物
Acta Crystallogr Sect E Struct Rep Online. 2009 May 20;65(Pt 6):o1339. doi: 10.1107/S1600536809017097.
9
(2S)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hy-droxy-phen-yl)acetic acid.(2S)-2-(4-乙基-2,3-二氧代哌嗪-1-甲酰胺基)-2-(4-羟基苯基)乙酸
Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 3;66(Pt 8):o1907-8. doi: 10.1107/S1600536810025262.
10
4-[(5-Hydr-oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)phenyl-meth-yl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one ethanol hemisolvate.4-[(5-羟基-3-甲基-1-苯基-1H-吡唑-4-基)苯甲基]-5-甲基-2-苯基-1H-吡唑-3(2H)-酮乙醇半溶剂化物
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 10;65(Pt 1):o66-7. doi: 10.1107/S1600536808039081.

本文引用的文献

1
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.
2
Biosynthesis of salvinorin A proceeds via the deoxyxylulose phosphate pathway.萨尔维诺灵A的生物合成通过磷酸脱氧木酮糖途径进行。
Phytochemistry. 2007 Jul;68(14):1872-81. doi: 10.1016/j.phytochem.2007.04.034. Epub 2007 Jun 14.
3
Synthesis and in vitro pharmacological studies of C(4) modified salvinorin A analogues.C(4)修饰的鼠尾草酚A类似物的合成及体外药理学研究
Bioorg Med Chem Lett. 2005 Oct 1;15(19):4169-73. doi: 10.1016/j.bmcl.2005.06.092.
4
Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands.新克罗烷二萜类化合物作为μ阿片受体配体的新型骨架。
J Med Chem. 2005 Jul 28;48(15):4765-71. doi: 10.1021/jm048963m.
5
Synthesis and in vitro pharmacological studies of new C(2) modified salvinorin A analogues.新型C(2)修饰的Salvinorin A类似物的合成及体外药理学研究
Bioorg Med Chem Lett. 2005 Aug 15;15(16):3744-7. doi: 10.1016/j.bmcl.2005.05.048.