methyl 2,3-dimethoxy-2,3-dioxo-2,3-secoolean-12-en-28-oate | 3256-05-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: methyl 2,3-dimethoxy-2,3-dioxo-2,3-secoolean-12-en-28-oate
• 英文别名: (4aR)-1c.4ar.4bt.9.9-pentamethyl-1t-methoxycarbonylmethyl-2c-(1-methyl-1-methoxycarbonyl-ethyl)-(10acH.12atH)-Δ^10b-tetradecahydro-6H-chrysene-carboxylic acid-(6ac)-methyl ester；(4aR)-1c.4ar.4bt.9.9-Pentamethyl-1t-methoxycarbonylmethyl-2c-(1-methyl-1-methoxycarbonyl-aethyl)-(10acH.12atH)-Δ^10b-tetradecahydro-6H-chrysen-carbonsaeure-(6ac)-methylester；methyl (1R,2R,4aR,4bS,6aS,10aS,12aR)-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1-(2-methoxy-2-oxoethyl)-1,4a,4b,9,9-pentamethyl-3,4,5,6,7,8,10,10a,12,12a-decahydro-2H-chrysene-6a-carboxylate
• CAS: 3256-05-1
• 化学式: C₃₃H₅₂O₆
• 分子量: 544.772
• InChiKey: IWDNALRUECYPEZ-FPFQSWSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  39.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  78.9
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  methyl 2,3-dimethoxy-2,3-dioxo-2,3-secoolean-12-en-28-oate 在 氢氧化钾 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 苯 为溶剂， 反应 8.5h， 生成 methyl 2-oxo-A-norolean-12-en-28-oate
  参考文献：
  名称：

  Synthesis of [2-13C]-oleanolic acid and [2-13C]-myricerone

  摘要：

  Synthetic way for C-13-labeled oleanolic acid I and myricerone 2 has been developed, starting from the parent 1 and 2. The procedure involves ring opening and closure of the A rings of these oleanane triterpenes. C-13 was introduced into the 2-position by C-13-MeLi as an isotope source. Chelation controlled addition of methyllithium to alpha-hydoxypentanone 11 is a common crucial step for labeling of 1 and 2, and judicious choice of protecting groups is essential for 2. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00975-8
• 作为产物：
  描述：

  3-氧代-12-烯-28-齐墩果酸 在 双氧水 、 sodium methylate 作用下， 以 甲醇 、 乙醚 、 水 、 苯 为溶剂， 反应 25.0h， 生成 methyl 2,3-dimethoxy-2,3-dioxo-2,3-secoolean-12-en-28-oate
  参考文献：
  名称：

  Synthesis of [2-13C]-oleanolic acid and [2-13C]-myricerone

  摘要：

  Synthetic way for C-13-labeled oleanolic acid I and myricerone 2 has been developed, starting from the parent 1 and 2. The procedure involves ring opening and closure of the A rings of these oleanane triterpenes. C-13 was introduced into the 2-position by C-13-MeLi as an isotope source. Chelation controlled addition of methyllithium to alpha-hydoxypentanone 11 is a common crucial step for labeling of 1 and 2, and judicious choice of protecting groups is essential for 2. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00975-8

文献信息

• Separation of cross-relaxation and exchange in two-site spin systems without resolved couplings
  作者：V. V. Klochkov、F. Kh. Karatayeva、R. A. Shaikhutdinov、B. I. Khairutdinov、M. -A. Molins、M. Pons

  DOI：10.1007/bf03166123

  日期：2002.9

  Variable temperature two-dimensional nuclear Overhauser enhancement experiment (2-D NOESY) is used to extract the rate constants and cross-relaxation rates that contribute to the same cross-peaks in NOESY spectra. Rate constants (kAB) and cross-relaxation rates (RAB) for two-site spin systems are related to the ratio between the cross-peak and diagonal peak integrals (F) by the expression:RAB -kAB

  变温二维核 Overhauser 增强实验 (2-D NOESY) 用于提取对 NOESY 光谱中相同交叉峰有贡献的速率常数和交叉松弛率。双位点自旋系统的速率常数 (kAB) 和交叉弛豫率 (RAB) 与交叉峰积分和对角峰积分 (F) 之间的比率相关，表达式为：RAB -kAB = (1/2τm)ln [(1 -F)/(1 +F)]，其中 τm 是混合时间。作为模型，我们研究了具有客体包含（苯或苯-d6）的 C4v 对称构型的二聚体杯 [4] 芳烃系统中的交换过程，其中交换过程的测量受到强核 Overhauser 增强的阻碍在杯[4]芳烃的锥形构象中相邻芳环中的质子之间。
• Zur Kenntnis der Triterpene. 39. Mitteilung. Aufspaltung des Ringes A der Oleanolsäure
  作者：L. Ruzicka、F. Ch. Van Der Sluys-Veer

  DOI：10.1002/hlca.193802101169

  日期：——
• Surfacevs intramuscular laryngeal electromyography
  作者：Thomas M. Hemmerling、J. Schmidt、Tobias Wolf、Stephan R Wolf、Klaus E. Jacobi

  DOI：10.1007/bf03019665

  日期：2000.9

  Purpose: To compare surface and intramuscular laryngeal electromyography (EMG) with adductor pollicis muscle EMG after 0.1 mg.kg(-1) cisatracunium.Methods: This prospective study included ten patients undergoing surgery with risk of damage to the recurrent laryngeal nerve (RLN), The tracheas were intubated after fentanyl/propoiol without the aid of muscle relaxation. A surface laryngeal electrode was attached to the tube and placed amidst the vocal cords; two straight needles were inserted endoscopically into the lek lateral cricoarytenoid muscle. Single twitch stimulation of the left RLN (0.1 Hz) was performed transcutaneously; skin EMG of the left adductor pollicis muscle was performed at 0.1 Hz. After supramaximal stimulation for 10 min, 0.1 mg.kg(-1) cisatracurium was injected. Lag, onset time and peak effect were measured and compared.Results: Good correlation (r = 0.9, 0.8, p < 0.005) and good comparability of the two methods of laryngeal EMG (mean difference and limits of agreement: 0 +/- 28 sec for lag time, -2 +/- 84 sec for onset time) was shown, The mean surface laryngeal lag and onset times were 67 +/- 22 sec and 198 +/- 72 sec, compared with the adductor pollicis muscle (98 +/- 30 sec and 242 +/- 59 sec) at P < 0.01. Peak effects at larynx (92 +/- 9%) and adductor pollicis muscle (95 +/- 3%) were similarConclusion: Surface laryngeal EMG is comparable to intramuscular laryngeal EMG to determine degree and onset of the neuromuscular blockade, Increasing muscle relaxation does not cause the surface electrode to lose contact with the vocal cords and therefore underestimate onset time and peak effect.