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内型-5α,3,15-二氧代多拉布-4(18)-烯-16,18-二醇

ent-5α,3,15-Dioxodolabr-4(18)-ene-16,18-diol.

作者信息

Fun Hoong-Kun, Pakathirathien Charoen, Karalai Chatchanok, Chantrapromma Suchada

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 23;66(Pt 11):o2897-8. doi: 10.1107/S1600536810042078.

DOI:10.1107/S1600536810042078
PMID:21589075
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3009018/
Abstract

The title compound, C(20)H(30)O(4), is a dolabrane diterpenoid isolated from Ceriops tagal, in which one of the three fused cyclo-hexane rings adopts a half-chair conformation and the other two are in the standard chair conformations. The hy-droxy-methyl-idene substituent is attached to the half-chair cyclo-hexane. An intra-molecular O-H⋯O hydrogen bond generate an S(6) ring motif. In the crystal, mol-ecules are arranged into screw chains along the [001] direction. The crystal is stabilized by O-H⋯O hydrogen bonds and weaker C-H⋯O inter-actions.

摘要

标题化合物C(20)H(30)O(4)是从角果木中分离得到的一种朵拉烷二萜,其中三个稠合环己烷环中的一个呈半椅式构象,另外两个呈标准椅式构象。羟基亚甲基取代基连接在半椅式环己烷上。分子内O-H⋯O氢键形成一个S(6)环模式。在晶体中,分子沿[001]方向排列成螺旋链。晶体通过O-H⋯O氢键和较弱的C-H⋯O相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d54/3009018/f55e4dc5b20f/e-66-o2897-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d54/3009018/eb055c3cce58/e-66-o2897-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d54/3009018/f55e4dc5b20f/e-66-o2897-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d54/3009018/eb055c3cce58/e-66-o2897-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d54/3009018/f55e4dc5b20f/e-66-o2897-fig2.jpg

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J Nat Prod. 2010 Oct 22;73(10):1701-5. doi: 10.1021/np100484w. Epub 2010 Oct 1.
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Structure validation in chemical crystallography.化学晶体学中的结构验证
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Tagalsins A-H, dolabrane-type diterpenes from the mangrove plant, Ceriops tagal.来自红树植物角果木的tagalsins A-H,多拉烷型二萜类化合物。
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