CAS: 83-46-5; (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-Ethyl-6-Methylheptan-2-yl)-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol

• 英文名称(3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-Ethyl-6-Methylheptan-2-yl)-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• 中文名称β-谷甾醇
• IUPAC名称(3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-Ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
• 其它别名24-Ethylcholest-5-en-3beta-ol; alpha-Dihydrofucosterol; 22,23-Dihydrostigmasterol; 24beta-Ethylcholesterol; 5-Stigmasten-3beta-ol
• CAS编号83-46-5
• MFCD编号:MFCD00003631
• EINECS号:201-480-6
• 分子式:C29H50O
• 分子量:414.72
• 产品CID: 1823330
• 产品分类有机原料 → 醇、酚、酚醇类化合物及衍生物 → 环醇

• 相似结构搜索
• 产品信息参考
• InChIKey: KZJWDPNRJALLNS-VJSFXXLFSA-N
• InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数6.0

物理性质

• 熔点139-142 °C
• 沸点501.9±19.0 °C at 760 mmHg
• 闪点220.4±13.7 °C
• 密度1.0±0.1 g/cm3
• PH:-28 º (c=2, CHCl3)
• pKa:15.03±0.70(预测)
• PSA:20.23
• LogP:10.73
• 旋光度-28º(C=2,CHCL3)
• 折射率1.521
• 蒸汽压0.0±2.9 mmHg at 25°C
• 溶解性Chloroform: 20 mg/mL, Clear, Colorless
• 敏感性广泛分布于植物中，可从数种植物油中提取，或从米糠油下脚中提取。
• 外观形态白色至类白色白色固体
• 储存条件2-8°C
• 产品应用医药原料及保健食品.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS07;
  注释: Health hazard & Exclamation mark
• 危险类别致癌性 类别2
  急性毒性 类别4(经口)
  特定目标器官毒性-重复接触 类别2
  皮肤腐蚀/刺激 类别2
• 警示词Warning(警告)
• 危险描述H351 |怀疑致癌.
  H302 |吞咽有害.
  H373 |长期或反复接触可能损害器官.
  H315 |造成皮肤刺激.
• 防范说明P201-P273-P301+P312+P330-P302+P352-P304+P340+P311-P308+P313
• UN编号UN 1888 6.1/PG 3
• 危险品标志Xn,Xi
• 安全声明22-24/25-36-26-36/37
• 危险类别码22-38-40-48/20/22-36/37/38-67-36/38-20-63
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 915-05-9 = 83-46-5
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Diethyl Ether,Methanol; 15 H,Rt
  标题:Practical And Facile Route To A Functional Intermediate From Stigmasterol For The Synthesis Of 1α-Hydroxyvitamin D5 And Related Compounds
  作者:Takahashi,Michiyasu; Et Al
  参考文献:Heterocycles 日期:2016 卷标:93(1) 页码:101-113]
  
  915-05-9 = 83-46-5
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol,Dichloromethane; 12 H,Rt
  标题:A Concise Synthesis Of β-Sitosterol And Other Phytosterols
  作者:Hang,Jiliang; Et Al
  参考文献:Steroids 日期:2010 卷标:75(12) 页码:879-883]
  
  = 83-46-5
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; 5 H,Reflux
  标题:β-Sitosterol-3-O-β-D-Xylopyranosyl (1->4)-O-β-D-Glucopyranoside From The Seeds Of Zanthoxylum Hamiltonianum Wall
  作者:Rajpoot,Sandhya
  参考文献:International Journal Of Chemical Sciences 日期:2013 卷标:11(2) 页码:1131-1136]
  
  4282-00-2 = 83-46-5
  反应条件:1.1 Reagents: Hydrochloric Acid,Water Solvents: Water
  标题:Constituents Of The Roots Of Boerhaavia Diffusa L. I. Examination Of Sterols And Structures Of New Rotenoids,Boeravinones A And B
  作者:Kadota,Shigetoshi; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1989 卷标:37(12) 页码:3214-20]
  
  474-58-8 = 83-46-5 [标题:Reaction Conditions
  标题:Isolation And Structure Of Isopropyl-α-D-Glucoside From The Coral Sclerophytum Capitalis
  作者:Sharma,Perveen; Et Al
  参考文献:Journal Of Natural Products 日期:1989 卷标:52(2) 页码:395-7]
  
  474-58-8 = 83-46-5 [标题:Reaction Conditions
  标题:Phytochemical Study Of Privet (Ligustrum Vulgare L.)
  作者:Diak,J.
  参考文献:Herba Polonica 日期:1988 卷标:34(3) 页码:103-8]
  
  20194-50-7 + 557-34-6 = 83-46-5
  反应条件:1.1 Solvents: Acetic Acid; 2 H,Reflux2.1 Reagents: Potassium Hydroxide Solvents: Diethyl Ether,Methanol; 15 H,Rt
  标题:Practical And Facile Route To A Functional Intermediate From Stigmasterol For The Synthesis Of 1α-Hydroxyvitamin D5 And Related Compounds
  作者:Takahashi,Michiyasu; Et Al
  参考文献:Heterocycles 日期:2016 卷标:93(1) 页码:101-113]
  
  286011-30-1 = 83-46-5
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Ethanol,Water; 8 H,Reflux
  标题:Phytosterol And γ-Oryzanol Conjugates: Synthesis And Evaluation Of Their Antioxidant,Antiproliferative,And Anticholesterol Activities
  作者:Lesma,Giordano; Et Al
  参考文献:Journal Of Natural Products 日期:2018 卷标:81(10) 页码:2212-2221]
  
  35961-40-1 = 83-46-5
  反应条件:1.1 Catalysts: Montmorillonite ((Al1.33-1.67Mg0.33-0.67)(Ca0-1Na0-1)0.33Si4(Oh)2O10.Xh2O) Solvents: Methanol
  标题:Montmorillonite Clays Catalysis. Ix. A Mild And Efficient Method For Removal Of Tetrahydropyranyl Ethers
  作者:Li,Tong-Shuang; Et Al
  参考文献:Synthetic Communications 日期:1999 卷标:29(2) 页码:181-188]
  
  915-05-9 = 83-46-5
  反应条件:1.1 Reagents: Ethanol Catalysts: μ4-Oxohexakis[μ-(2,2,2-Trifluoroacetato-Ko:Ko′)]Tetrazinc; 96 H,Reflux
  标题:A Tetranuclear-Zinc-Cluster-Catalyzed Practical And Versatile Deprotection Of Acetates And Benzoates
  作者:Iwasaki,Takanori; Et Al
  参考文献:Chemistry - A European Journal 日期:2010 卷标:16(38) 页码:11567-11571]
  
  905458-47-1 = 83-46-5
  反应条件:1.1 Reagents: Chlorotrimethylsilane,Potassium Fluoride (Kf),Dihydrate Solvents: Acetonitrile; 20 Min,60 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:A Mild And Efficient Desilylation Of O-Tert-Butyldimethylsilyl Ethers Mediated By Chlorotrimethylsilane And Potassium Fluoride Dihydrate In Acetonitrile
  作者:Peng,Yu; Et Al
  参考文献:Synlett 日期:2006 卷标:(8) 页码:1165-1168]
  
  53603-94-4 = 83-46-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol,Dichloromethane; 24 H,200 Psi,23 °C1.2 Catalysts: P-Toluenesulfonic Acid Solvents: 1,4-Dioxane,Water; 3 H,80 °C
  标题:Identification And Characterization Of β-Sitosterol Target Proteins
  作者:Lomenick,Brett; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2015 卷标:25(21) 页码:4976-4979]
  
  117467-15-9 = 83-46-5
  反应条件:1.1 Catalysts: Palladium Solvents: Ethanol; 16 H,50 Psi,Rt1.2 Reagents: P-Toluenesulfonic Acid Solvents: 1,4-Dioxane,Water; 3 H,80 °C
  标题:Synthesis,Isolation And Characterization Of β-Sitosterol And β-Sitosterol Oxide Derivatives
  作者:Mccarthy,Florence O.; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2005 卷标:3(16) 页码:3059-3065]
  
  83-48-7 = 83-46-5 [标题:Reaction Conditions
  标题:Synthesis Of Triaromatic Steroid Hydrocarbons Methylated At Position 2,3,Or 6: Molecular Fossils Of Yet Unknown Biological Origin
  作者:Lechtfouse,Eric; Et Al
  参考文献:Tetrahedron 日期:1994 卷标:50(6) 页码:1731-44]
  
  105226-41-3 = 83-46-5 [标题:Reaction Conditions
  标题:Configurations At C-24 Of 24-Alkylsterols From Clerodendrum Infortunatum Linn
  作者:Thakur,Swapnadip; Et Al
  参考文献:Indian Journal Of Chemistry 日期:1988 卷标:(1) 页码:17-20]
  
  474-58-8 = 83-46-5 [标题:Reaction Conditions
  标题:Sterols Of Salsola Collina
  作者:Syrchina,A. I.; Et Al
  参考文献:Khimiya Prirodnykh Soedinenii 日期:1989 卷标:(5) 页码:731-2]
  
  53139-46-1 = 83-46-5
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid Solvents: 1,4-Dioxane,Water; 3 H,80 °C
  标题:Identification And Characterization Of β-Sitosterol Target Proteins
  作者:Lomenick,Brett; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2015 卷标:25(21) 页码:4976-4979]
  
  23813-08-3 = 83-46-5
  反应条件:1.1 Reagents: Aluminum Iodide Solvents: Acetonitrile,Dichloromethane; 10 Min,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water2.1 Reagents: Potassium Carbonate Solvents: Methanol,Dichloromethane; 12 H,Rt
  标题:A Concise Synthesis Of β-Sitosterol And Other Phytosterols
  作者:Hang,Jiliang; Et Al
  参考文献:Steroids 日期:2010 卷标:75(12) 页码:879-883]
  
  53139-42-7 = 83-46-5
  反应条件:1.1 Reagents: Potassium Acetate Solvents: Methanol; 3 H,Reflux2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol,Dichloromethane; 24 H,200 Psi,23 °C2.2 Catalysts: P-Toluenesulfonic Acid Solvents: 1,4-Dioxane,Water; 3 H,80 °C
  标题:Identification And Characterization Of β-Sitosterol Target Proteins
  作者:Lomenick,Brett; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2015 卷标:25(21) 页码:4976-4979]
  
  53139-42-7 = 83-46-5
  反应条件:1.1 Reagents: Pyridine Solvents: Methanol; 6 H,Reflux2.1 Catalysts: Palladium Solvents: Ethanol; 16 H,50 Psi,Rt2.2 Reagents: P-Toluenesulfonic Acid Solvents: 1,4-Dioxane,Water; 3 H,80 °C
  标题:Synthesis,Isolation And Characterization Of β-Sitosterol And β-Sitosterol Oxide Derivatives
  作者:Mccarthy,Florence O.; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2005 卷标:3(16) 页码:3059-3065

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905142000-仲丁醇
• 💡 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

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