CAS: 95975-55-6; (8R,9S,10R,13S,14S)-17-Ethylidene-10,13-Dimethyl-7,8,9,10,11,12,13,14,15,17-Decahydro-1H-Cyclopenta[a]Phenanthrene-3,16(2H,6H)-Dione

• 英文名称(8R,9S,10R,13S,14S)-17-Ethylidene-10,13-Dimethyl-7,8,9,10,11,12,13,14,15,17-Decahydro-1H-Cyclopenta[a]Phenanthrene-3,16(2H,6H)-Dione
• 中文名称香胶甾酮
• IUPAC名称(8R,9S,10R,13S,14S)-17-ethylidene-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,16(2H)-dione
• 其它别名Avqfhkyavvqyqo-Uhfffaoysa-; 6Cst3U34Gn; Guggulsterone Z [usp-Rs]; Z/e-Guggulsterone; Guggulsterones Z; 2-(2-Aminothiazol-3(2H)-yl)-1-Phenylethanone; Guggulsterone; (17Z)-Guggulsteron
• CAS编号95975-55-6
• MFCD编号:MFCD01310757
• EINECS号:982-588-7
• 分子式:C21H28O2
• 分子量:312.45
• 产品CID: 2015282
• 产品分类天然产物 → 甾体化合物

• 相似结构搜索
• 产品信息参考;;
• InChIKey: WDXRGPWQVHZTQJ-NRJJLHBYSA-N
• InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/t15-,17+,18+,20+,…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数0.0

物理性质

• 熔点No date available
• 沸点463.3±45.0 °C(预测)
• 闪点172.3±25.7 °C
• 密度1.10±0.1 g/cm3(预测)
• PSA:34.14
• LogP:3.9
• 折射率1.557
• 溶解性DMSO: 5 mg/mL
• 外观形态淡黄色粉末
• 储存条件2-8°C
• 产品应用该化合物用作Z-和 EGUULSTERONES.在 VENTRO,GUG-GUGULSTENE(0.5-20-20 M;24小时) MAS) 抑制LPS-S-SUTRA-EM-SUC-SUGRADUSTRINE-SU-SUARES-SUMALS)

MSDS等安全信息

• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2A
• 警示词warning
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 危险品标志Xi
• 安全声明36
• 危险类别码37
• WGK Germany3

欧盟法规

合成工艺路线路线简述

• 3347-58-8 = 95975-55-6
  反应条件:1.1 Reagents: Cyclohexanone Solvents: Toluene; 2 H,Reflux1.2 Reagents: Aluminum Isopropoxide; 0.5 H,105 - 110 °C; 110 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; 10 Min,Rt
  标题:Preparation Of Guggulsterone Intermediate
  参考文献:China]
  
  = 95975-55-6 [标题:Reaction Conditions
  标题:A Process For The Synthesis Of Pharmacologically Active (E/z)-Guggulsterones
  参考文献:India]
  
  = 95975-55-6 [标题:Reaction Conditions
  标题:Process For Preparing (Z/e)-Guggulsterones From 16-Dehydropregnenolone Acetate
  参考文献:World Intellectual Property Organization]
  
  = 95975-55-6
  反应条件:1.1 Reagents: N-Hydroxyphthalimide,Oxygen Catalysts: Benzoyl Peroxide,Manganese Oxide (Mno2) Solvents: Cyclohexanone; Rt -> 50 °C; 10 - 15 H,45 - 50 °C
  标题:Green Preparation Of Guggulsterone
  参考文献:China]
  
  672308-23-5 = 95975-55-6
  反应条件:1.1 Reagents: Aluminum Isopropoxide Solvents: Toluene,Cyclohexanone; Reflux
  标题:Process For Preparing Guggulsterones From 16-Dihydropegnenolone Acetate
  参考文献:World Intellectual Property Organization]
  
  = 95975-55-6 [标题:Reaction Conditions
  标题:Preparation Method Of Guggulsterone And Intermediate Used Therein
  参考文献:Korea]
  
  = 95975-55-6 [标题:Reaction Conditions
  标题:A Process For The Preparation Of A Pharmacologically Active Synthetic Z And E Stereoisomeric Mixture Of Guggulsterones
  参考文献:European Patent Organization

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2912110000-甲醛
  2912120000-乙醛
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

专利信息

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管