CAS: 1187951-05-8; (2S,4As,6S,6As,7R,10R,11Ar,11Bs)-2-(Furan-3-yl)-11B-Methyl-4,8-Dioxododecahydro-2H-7,10-Methanooxepino[4,5-F]Isochromen-6-Yl (E)-3-(4-Methoxyphenyl)Acrylate

• 英文名称(2S,4As,6S,6As,7R,10R,11Ar,11Bs)-2-(Furan-3-yl)-11B-Methyl-4,8-Dioxododecahydro-2H-7,10-Methanooxepino[4,5-F]Isochromen-6-Yl (E)-3-(4-Methoxyphenyl)Acrylate
• 中文名称黄独素I
• IUPAC名称(2S,4aS,6S,6aS,7R,10R,11aR,11bS)-2-(furan-3-yl)-11b-methyl-4,8-dioxododecahydro-2H-7,10-methanooxepino[4,5-f]isochromen-6-yl (E)-3-(4-methoxyphenyl)acrylate
• 其它别名Diosbulbin I; 2-Propenoic Acid, 3-(4-Methoxyphenyl)-, (2S,4As,6S,6As,7R,10R,11Ar,11Bs)-2-(3-Furanyl)Dodecahydro-11B-Methyl-4,8-Dioxo-7,10-Methano-2H-Pyrano[4,3-G][3]Benzoxepin-6-Yl Ester, (2E)-; (1R,2S,3S,5S,8S,11R,13R)-8-(3-Furyl)-10-Methyl-6,15-Dioxo-7,14-Dioxatetracyclo[11.2.1.0Sup2,11Sup.0Sup5,10Sup]Hexadec-3-Yl(2E)-3-(4-Methoxyphenyl)Acrylate
• CAS编号1187951-05-8
• 分子式:C29H30O8分子量:506.55
• 产品CID: 246848

• 相似结构搜索
• InChIKey: NFXKFVAWBBOWIJ-WBQZIMCXSA-N
• InChI=1S/C29H30O8/c1-29-14-24(17-9-10-34-15-17)37-28(32)22(29)13-23(26-20-11-19(12-21(26)29)35-27(20)31)36-25(30)8-5-16-3-6-18(33-2)7-4-16/h3-10,15,19-24,26H,11-14H2,1-2H
• 计算化学: 氢键受体数8.0氢键供体数0.0可旋转键数6.0

物理性质

• 沸点723.9±60.0 °C at 760 mmHg
• 闪点391.6±32.9 °C
• 密度1.3±0.1 g/cm3
• PSA:101.27
• LogP:2.38
• 折射率1.608
• 蒸汽压0.0±2.3 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，密封保存，干燥环境，避光

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
• 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
  2902300000-甲苯
  2902500000-苯乙烯
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• 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