(3β-hydroxy-7-oxo-14α-methyl-podocarpanylidene-(13seqtrans))-acetic acid | 468-74-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (3β-hydroxy-7-oxo-14α-methyl-podocarpanylidene-(13seqtrans))-acetic acid
• 英文别名: (3β-Hydroxy-7-oxo-14α-methyl-podocarpanyliden-(13seqtrans))-essigsaeure；Cassainsaeure；(2E)-2-[(1R,4aS,4bR,7S,8aR,10aS)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetic acid
• CAS: 468-74-6
• 化学式: C₂₀H₃₀O₄
• 分子量: 334.456
• InChiKey: YIEVFZIFSUHCIY-ACSHCTNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3β-hydroxy-7-oxo-14α-methyl-podocarpanylidene-(13seqtrans))-acetic acid 在 chromium(VI) oxide 、 溶剂黄146 作用下， 生成 14α-methyl-3,7-dioxo-15-nor-pimar-13(16)c-en-17-oic acid
  参考文献：
  名称：

  Does smoking increase relapse rates in Graves’ disease?

  摘要：

  We wondered whether the relapse rate of Graves' hyperthyroidism was increased amongst patients who smoked. To this end, a retrospective analysis of clinical and laboratory data of consecutive patients with Graves' disease was carried out. All patients were treated with thionamide anti-thyroid drugs (ATD) for at least one year and remission was defined as continued and biochemical euthyroidism, at least 6 months after discontinuing ATD. The study comprised 221 subjects with Graves' disease from a hospital-based population over 9 years. We took the following variables into account when assessing contribution to disease relapse: Goiter, Thyroid Associated Ophthalmopathy (TAO), and Time to euthyroidism after starting ATD and interaction between smoking and sex. Smoking had a marginally significant (p=0.081) deleterious effect on the likelihood of remission after ATD treatment for Graves' disease. The effect of smoking was, however, highly significant in males and indeed the deleterious effect on remissions may be restricted to males (odds ratio, 11.1; 95% confidence interval, 1.25 to 98.5). The presence of goiter (odds ratio, 3.8; 95% confidence interval, 2.05 to 7.1) and TAO (odds ratio, 1.8; 95% confidence interval, 0.993 to 3.18) forecasted lower chances of achieving remission. The shorter the time a patient became euthyroid after starting ATD the more likely his disease was to remit. We conclude that cigarette smoking increases the likelihood of Graves' disease recurrence in males treated with anti-thyroid drugs. Thus, smoking appears to be an important risk factor in the pathogenesis and outcome of Graves' disease patients at least in subsets of patients. (C)2002, Editrice Kurtis.

  DOI：

  10.1007/bf03343979
• 作为产物：
  描述：

  (3beta,13E,14alpha)-13-{2-[2-(二甲基氨基)乙氧基]-2-氧代乙亚基}-14-甲基-7-氧代罗汉松n-3-基3-羟基-3-甲基丁酸酯 在 氢氧化钾 作用下， 生成 (3β-hydroxy-7-oxo-14α-methyl-podocarpanylidene-(13seqtrans))-acetic acid
  参考文献：
  名称：

  MRI measurements of orbital tissues in dysthyroid ophthalmopathy

  摘要：

  Background: Muscle volume investigation by different imaging techniques has proven useful in the diagnosis and follow up of treatment in dysthyroid ophthalmopathy. However, no study on muscle volume measurement by magnetic resonance imaging (MRI) has been done in this disease. Methods: Six patients with monocular or asymmetric binocular dysthyroid ophthalmopathy and eight controls were examined with orbital MRI using a surface coil. In the muscle volume study, 2 mm coronal slices were used for measuring the six extraocular muscles (EOM), i.e., medial rectus (MR), lateral rectus (LR) superior rectus (SR), inferior rectus (IR), superior oblique (SO), and inferior oblique (IO) muscles, as well as the orbital fatty tissue (OFT). In the muscle thickness study, 3 mm transverse and sagittal images were used for measuring the four rectus muscles during fixation in different gaze positions in horizontal and vertical planes. Results: In dysthyroid ophthalmopathy, the muscle volume of the six external eye muscles was significantly larger than in controls, except for the IO. The IR and MR showed the largest increase in muscle volume. The correlation between muscle thickness and different degrees of eye deflections was linear for all four rectus muscles both in patients and controls, and no significant differences in the slopes of the regression lines were found. The volume of OFT was significantly larger in patients than in controls, and the change in volume was larger than that of muscle volume. Conclusions: MRI technique makes it possible to observe and evaluate quantitatively the volume of all six extraocular muscles and the orbital fatty tissue in dysthyroid ophthalmopathy. It also makes it possible to evaluate changes in morphology during eye muscle contraction.

  DOI：

  10.1007/s004170100352

文献信息

• Zur Kenntnis derErythrophleum-Alkaloide. 14. Mitteilung
  作者：B. G. Engel

  DOI：10.1002/hlca.19590420110

  日期：——

  The degradation of diketocassenic acid with ozone yields a triketone C18H26O3 and oxalic acid.

  用臭氧降解二酮辛烷酸可产生三酮C 18 H 26 O 3和草酸。
• Plant Flavonoids: Signals to Legume Nodulation and Soil Microorganisms
  作者：Veena Jain、H. S. Nainawatee

  DOI：10.1007/bf03263127

  日期：2002.2
• Humber; Taylor, Journal of the Chemical Society, 1955, p. 1044
  作者：Humber、Taylor

  DOI：——

  日期：——
• Zur Kenntnis der Erythrophleum-alkaloide. (2. Mitteilung) über das Kohlenstoffgerüst und die Lage der Doppelbindung bei der Cassainsäure
  作者：L. Ruzieka、G. Dalma

  DOI：10.1002/hlca.193902201189

  日期：——
• 725. The oxygen groups of cassaic acid
  作者：V. P. Arya、David W. Mathieson

  DOI：10.1039/jr9590003623

  日期：——