CAS: 958885-86-4; 3-((R)-1-Hydroxy-2-((1S,4As,8As)-5,5,8A-Trimethyl-2-Methylenedecahydronaphthalen-1-yl)Ethyl)Furan-2(5H)-One

• 英文名称3-((R)-1-Hydroxy-2-((1S,4As,8As)-5,5,8A-Trimethyl-2-Methylenedecahydronaphthalen-1-yl)Ethyl)Furan-2(5H)-One
• 中文名称12-羟基-8(17),13-赖百当二烯-16,15-内酯
• IUPAC名称3-((R)-1-hydroxy-2-((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)ethyl)furan-2(5H)-one
• 其它别名12-Hydroxy-8(17),13-Labdadien-16,15-Olide; 12-Hydroxy-8(17),13-Labdadien-16; Epivitexolide D; (12R)-Hydroxylabda-8(17),13-Dien-15(16)-Olide; 2(5H)-Furanone, 3-[(1R)-2-[(1S,4As,8As)-Decahydro-5,5,8A-Trimethyl-2-Methylene-1-Naphthalenyl]-1-Hydroxyethyl]-; Vitexolide E
• CAS编号958885-86-4
• MFCD编号:MFCD20260777
• 分子式:C20H30O3分子量:318.46
• 产品CID: 2013250

• 相似结构搜索
• InChIKey: NNNUJNWMFLYQTF-PFRQMTDMSA-N
• InChI=1S/C20H30O3/c1-13-6-7-17-19(2,3)9-5-10-20(17,4)15(13)12-16(21)14-8-11-23-18(14)22/h8,15-17,21H,1,5-7,9-12H2,2-4H3/t15-,16+,17-,20+/m0/s1
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数3.0

物理性质

• 沸点468.0±20.0 °C at 760 mmHg
• 闪点187.5±14.5 °C
• 密度1.1±0.1 g/cm3
• pKa:13.55±0.20(预测)
• PSA:46.53
• LogP:5.46
• 折射率1.535
• 蒸汽压0.0±2.6 mmHg at 25°C
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密闭

MSDS等安全信息

• 危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 危险品标志Xi
• 安全声明H303+H313+H333

上下游产品

合成工艺路线路线简述

• 61550-02-5 + 3243-36-5 = 958885-86-4 + 1788090-69-6
  反应条件:1.1 Catalysts: Ytterbium Triflate Solvents: Ethanol,Tetrahydrofuran,Water; 24 H,-30 °C
  标题:Lewis Acid-Catalyzed Stereoselective α-Addition Of Chiral Aldehydes To Cyclic Dienol Silanes: Aqueous Synthesis Of Chiral Butenolides
  作者:Adamkiewicz,Anna; Weglarz,Izabela; Butkiewicz,Aleksandra; Woyciechowska,Marta; Mlynarski,Jacek
  参考文献:Advanced Synthesis & Catalysis 日期:2020 卷标:362(3) 页码:667-678]
  
  3243-36-5 + 497-23-4 = 958885-86-4
  反应条件:1.1 Reagents: Diisopropylethylamine,Methanesulfonic Acid,1,1,1-Trifluoro-,Anhydride With B,B-Dibutylborinic Acid Solvents: Dichloromethane; -78 °C1.2 2 H,-78 °C
  标题:Expedient Synthesis Of Villosin And Its Isomer (E)-Labda-8(17),12,14-Trien-15(16)-Olide
  作者:Boukouvalas,John; Wang,Jian-Xin; Marion,Olivier
  参考文献:Tetrahedron Letters 日期:2007 卷标:48(44) 页码:7747-7750]
  
  7331-52-4 + 3243-36-5 = 958885-86-4
  反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran,Hexane; 30 Min,-78 °C1.2 Solvents: Tetrahydrofuran; -30 °C; Overnight,-30 °C1.3 Reagents: Sodium Bicarbonate Solvents: Water; -30 °C
  标题:The Identification Of Naturally Occurring Labdane Diterpenoid Calcaratarin D As A Potential Anti-Inflammatory Agent
  作者:Tran,Quy T. N.; Wong,W. S. Fred; Chai,Christina L. L.
  参考文献:European Journal Of Medicinal Chemistry 日期:2019 卷标:174 页码:33-44

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905399001-1,3-丙二醇
• 💡 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