CAS: 869807-57-8; (S,Z)-4-Hydroxy-3-(2-((1R,4As,5R,6R,8As)-6-Hydroxy-5-(Hydroxymethyl)-5,8A-Dimethyl-2-Methylenedecahydronaphthalen-1-yl)Ethylidene)Dihydrofuran-2(3H)-One

• 英文名称(S,Z)-4-Hydroxy-3-(2-((1R,4As,5R,6R,8As)-6-Hydroxy-5-(Hydroxymethyl)-5,8A-Dimethyl-2-Methylenedecahydronaphthalen-1-yl)Ethylidene)Dihydrofuran-2(3H)-One
• 中文名称(S,Z)-4-羟基-3-(2-((1R,4AS,5R,6R,8AS)-6-羟基-5-(羟甲基)-5,8A-二甲基-2-亚甲基十氢化萘-1-基)亚乙基)二氢呋喃-2(3H)-酮
• IUPAC名称(S,Z)-4-hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2(3H)-one
• 其它别名Andropanolide; 2(3H)-Furanone, 3-[2-[(1R,4As,5R,6R,8As)-Decahydro-6-Hydroxy-5-(Hydroxymethyl)-5,8A-Dimethyl-2-Methylene-1-Naphthalenyl]Ethylidene]Dihydro-4-Hydroxy-, (3Z,4S)-; (S,Z)-4-Hydroxy-3-(2-((1R,4As,5R,6R,8As)-6-Hydroxy-5-(Hydroxymethyl)-5,8A-Dimethyl-2-Methylenedecahydronaphthalen-1-yl)Ethylidene)Dihydrofuran-2(3H)-One
• CAS编号869807-57-8
• MFCD编号:MFCD22417285
• 分子式:C20H30O5分子量:350.45
• 产品CID: 1873828
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: BOJKULTULYSRAS-QPSYGYIJSA-N
• InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5-/t14-,15-,16+,17-,19+,20+/m1/s1
• 计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数3.0

物理性质

• 熔点210-211 °C(溶剂: methanol (67-56-1))
• 沸点557.3±50.0 °C(预测)
• 闪点195.5±23.6 °C
• 密度1.21±0.1 g/cm3(预测)
• pKa:12.36±0.20(预测)
• PSA:86.99
• LogP:1.9626
• 溶解性Soluble In DMSO
• 外观形态白色至类白色固体
• 储存条件4°C, 避光
• 产品应用该化合物是一种小分子对立物,通过对P50子单位的细胞62进行共价修改来调节NF-NB活动;它抑制了TNF-Α引起的NF-1B在刺激的内皮细胞中的活化,减少了细胞粘合分子E-选择剂的表达方式,并阻止了E-ELECTIN中间的液态粘合.

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P305+P351+P338-
• 安全声明H303+H313+H333

合成工艺路线路线简述

• 5508-58-7 = 869807-57-8 + 1020673-18-0 + 955428-65-6 + 1262950-29-7 + 919120-75-5 + 42895-58-9 + 4176-97-0 + 1020673-19-1
  反应条件:1.1 Solvents: Water; 96 H,28 °C
  标题:Cytotoxic Biotransformed Products From Andrographolide By Rhizopus Stolonifer Atcc 12939
  作者:He,Xiangjiu; Et Al
  参考文献:Journal Of Molecular Catalysis B: Enzymatic 日期:2010 卷标:62(3-4) 页码:242-247

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
• 💡 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