CAS: 61263-49-8; (1R,3R,4R,4As,8As)-4-Hydroxy-3,4A,8,8-Tetramethyl-4-(2-(5-Oxo-2,5-Dihydrofuran-3-yl)Ethyl)Decahydronaphthalen-1-Yl Acetate

• 英文名称(1R,3R,4R,4As,8As)-4-Hydroxy-3,4A,8,8-Tetramethyl-4-(2-(5-Oxo-2,5-Dihydrofuran-3-yl)Ethyl)Decahydronaphthalen-1-Yl Acetate
• 中文名称牡荆内酯
• IUPAC名称(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)decahydronaphthalen-1-yl acetate
• 其它别名(1R,3R,4R,4As,8As)-4-Hydroxy-3,4A,8,8-Tetramethyl-4-[2-(5-Oxo-2,5-Dihydro-3-Furanyl)Ethyl]Decahydro-1-Naphthalenyl Acetate; 4-[2-[(1R,4Aα)-Decahydro-4β-Acetoxy-1α-Hydroxy-2α,5,5,8Aβ-Tetramethylnaphthalen-1-Yl]Ethyl]Furan-2(5H)-One; 4-[2-[(4Aα)-4β-Acetoxy-1-Hydroxy-2α,5,5,8Aβ-Tetramethyldecalin-1β-Yl]Ethyl]-2(5H)-Furanone; [(1R,3R,4R,4As,8As)-4-Hydroxy-3,4A,8,8-Tetramethyl-4-[2-(5-Oxo-2H-Furan-3-yl)Ethyl]-2,3,5,6,7,8A-Hexahydro-1H-Naphthalen-1-Yl] Acetate; 2(5H)-Furanone, 4-[2-[(1R,2R,4R,4As,8As)-4-(Acetyloxy)Decahydro-1-Hydroxy-2,5,5,8A-Tetramethyl-1-Naphthalenyl]Ethyl]-
• CAS编号61263-49-8
• MFCD编号:MFCD07779142
• FDA UNII编号:8HP9QLE96R
• 分子式:C22H34O5分子量:378.51
• 产品CID: 1594392
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;
• InChIKey: FBWWXAGANVJTLU-HEXLTJKYSA-N
• InChI=1S/C22H34O5/c1-14-11-17(27-15(2)23)19-20(3,4)8-6-9-21(19,5)22(14,25)10-7-16-12-18(24)26-13-16/h12,14,17,19,25H,6-11,13H2,1-5H3/t14-,17-,19+,21+,22-/m1/s1
• 计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数5.0

物理性质

• 熔点148～149°C
• 沸点501.5±40.0 °C at 760 mmHg
• 闪点166.6±20.8 °C
• 密度1.1±0.1 g/cm3
• pKa:14.51±0.70(预测)
• PSA:72.83
• LogP:3.69
• 折射率1.529
• 蒸汽压0.0±2.9 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密闭
• 产品应用该化合物用于癌症研究.

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
  2905143000-叔丁醇
• 💡 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