CAS: 62820-11-5; 2-Hydroxy-6-(Hydroxymethyl)-3,8,8,10A-Tetramethyl-5-Oxo-1A,1B,2,3,4,5,7A,8,8A,9,10,10A-Dodecahydro-4Ah-Cyclopenta[3,4]Cyclopropa[8,9]Cycloundeca[1,2-B]Oxiren-4A-Yl 3-Phenylacrylate

• 英文名称2-Hydroxy-6-(Hydroxymethyl)-3,8,8,10A-Tetramethyl-5-Oxo-1A,1B,2,3,4,5,7A,8,8A,9,10,10A-Dodecahydro-4Ah-Cyclopenta[3,4]Cyclopropa[8,9]Cycloundeca[1,2-B]Oxiren-4A-Yl 3-Phenylacrylate
• 中文名称异千金藤醇 A
• IUPAC名称2-hydroxy-6-(hydroxymethyl)-3,8,8,10a-tetramethyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-4aH-cyclopenta[3,4]cyclopropa[8,9]cycloundeca[1,2-b]oxiren-4a-yl 3-phenylacrylate
• 其它别名1A,1B,2,3,4,5,7A,8,8A,9,10,10A-Dodecahydro-2-Hydroxy-6-(Hydroxymethyl) -3,8,8,10A-Tetramethyl-5-Oxo-4Ah-Cyclopenta(3,4)Cyclopropa(8,9)Cycloun Dec(1,2-B)Oxiren-4A-Yl Ester; Jolkinol A; 2-Propenoic Acid, 3-Phenyl-, (1As,1Br,2S,3S,4Ar,6E,7Ar,8As,10Ar)-1A,1B,2,3,4,5,7A,8,8A,9,10,10A-Dodecahydro-2-Hydroxy-6-(Hydroxymethyl)-3,8,8,10A-Tetramethyl-5-Oxo-4Ah-Cyclopenta[3,4]Cyclopropa[8,9]Cycloundec[1,2-B]Oxiren-4A-Yl Ester, (2E)-; [(1S,4R,7S,9R,13R)-16-Hydroxy-11-(Hydroxymethyl)-4,8,8,15-Tetramethyl-12-Oxo-3-Oxatetracyclo[11.3.0.02,4.07,9]Hexadec-10-En-13-Yl] 3 -Phenylprop-2-Enoate
• CAS编号62820-11-5
• MFCD编号:MFCD28009400
• 分子式:C29H36O6分子量:480.6
• 产品CID: 1609106
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: ZLHWPIKKGZWBKR-FJNJLFAUNA-N
• InChI=1S/C29H36O6/c1-17-15-29(34-22(31)11-10-18-8-6-5-7-9-18)23(24(17)32)26-28(4,35-26)13-12-20-21(27(20,2)3)14-19(16-30)25(29)33/h5-11,14,17,20-21,23-24,26,30,32H,12-13,
• 计算化学: 氢键受体数6.0氢键供体数2.0可旋转键数5.0

物理性质

• 沸点643.1±55.0 °C at 760 mmHg
• 闪点210.1±25.0 °C
• 密度1.3±0.1 g/cm3
• pKa:13.55±0.10(预测)
• PSA:96.36
• LogP:4.87
• 折射率1.605
• 蒸汽压0.0±2.0 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件室温
• 产品应用JOLKINOL A 与EUPHORBIA LATHYRIS L. 的种子隔绝. 它会抑制 MCF-7(乳腺癌), NCI-H460(非小细胞肺癌)的细胞线.

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
  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