CAS: 869384-82-7; 3-(2-((1R,2S,4As,5R,6R,8As)-6-Hydroxy-2,5-Bis(Hydroxymethyl)-5,8A-Dimethyldecahydronaphthalen-1-yl)Ethyl)Furan-2(5H)-One

• 英文名称3-(2-((1R,2S,4As,5R,6R,8As)-6-Hydroxy-2,5-Bis(Hydroxymethyl)-5,8A-Dimethyldecahydronaphthalen-1-yl)Ethyl)Furan-2(5H)-One
• 中文名称14-去氧基-17-羟基穿心莲内酯
• IUPAC名称3-(2-((1R,2S,4aS,5R,6R,8aS)-6-hydroxy-2,5-bis(hydroxymethyl)-5,8a-dimethyldecahydronaphthalen-1-yl)ethyl)furan-2(5H)-one
• 其它别名14-Deoxy-17-Hydroxyandrographolide; 14-Deoxy-17-Hydroxyandrographoli; 2(5H)-Furanone, 3-[2-[(1R,2S,4As,5R,6R,8As)-Decahydro-6-Hydroxy-2,5-Bis(Hydroxymethyl)-5,8A-Dimethyl-1-Naphthalenyl]Ethyl]-
• CAS编号869384-82-7
• MFCD编号:MFCD22417284
• 分子式:C20H32O5分子量:352.47
• 产品CID: 1873196
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: LMOGEODVJJLYGW-UQZPWQSVSA-N
• InChI=1S/C20H32O5/c1-19-9-7-17(23)20(2,12-22)16(19)6-4-14(11-21)15(19)5-3-13-8-10-25-18(13)24/h8,14-17,21-23H,3-7,9-12H2,1-2H3/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5.0

物理性质

• 沸点552.1±20.0 °C at 760 mmHg
• 闪点192.4±15.3 °C
• 密度1.1±0.1 g/cm3
• pKa:14.99±0.10(预测)
• PSA:86.99
• LogP:0.73
• 折射率1.528
• 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

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