CAS: 160242-09-1; 3-((R)-2-Hydroxy-2-((1R,4As,5R,6R,8Ar)-6-Hydroxy-5-(Hydroxymethyl)-5,8A-Dimethyl-2-Methylenedecahydronaphthalen-1-yl)Ethyl)Furan-2(5H)-One

• 英文名称3-((R)-2-Hydroxy-2-((1R,4As,5R,6R,8Ar)-6-Hydroxy-5-(Hydroxymethyl)-5,8A-Dimethyl-2-Methylenedecahydronaphthalen-1-yl)Ethyl)Furan-2(5H)-One
• 中文名称14-去氧基-11-羟基穿心莲内酯
• IUPAC名称3-((R)-2-hydroxy-2-((1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethyl)furan-2(5H)-one
• 其它别名14-Deoxy-11-Hydroxyandrographoli; 14-Deoxy-11-Hydroxyandrographolide; 2(5H)-Furanone, 3-[(2R)-2-[(1R,4As,5R,6R,8Ar)-Decahydro-6-Hydroxy-5-(Hydroxymethyl)-5,8A-Dimethyl-2-Methylene-1-Naphthalenyl]-2-Hydroxyethyl]-
• CAS编号160242-09-1
• 分子式:C20H30O5分子量:350.45
• 产品CID: 805442
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: BNLCOXWUZAOLDT-JLEOBMEESA-N
• InChI=1S/C20H30O5/c1-12-4-5-15-19(2,8-6-16(23)20(15,3)11-21)17(12)14(22)10-13-7-9-25-18(13)24/h7,14-17,21-23H,1,4-6,8-11H2,2-3H3/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4.0

物理性质

• 沸点552.4±50.0 °C at 760 mmHg
• 闪点193.5±23.6 °C
• 密度1.2±0.1 g/cm3
• pKa:14.28±0.20(预测)
• PSA:86.99
• LogP:0.76
• 折射率1.568
• 蒸汽压0.0±3.4 mmHg at 25°C
• 外观形态粉末
• 储存条件室温

MSDS等安全信息

• 危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation 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

合成工艺路线路线简述

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