CAS: 93772-31-7; (Z)-4-((1S,3Ar,5S,11R,14As)-8,9-Dihydroxy-2,2,11-Trimethyl-13-(3-Methylbut-2-En-1-yl)-11-(4-Methylpent-3-En-1-yl)-4,7-Dioxo-2,3A,4,5,7,9,10,11-Octahydro-1H-1,5-Methanofuro[3,2-G]Pyrano[3,2-B]Xanthen-3A-yl)-2-Methylbut-2-Enoic Acid

• 英文名称(Z)-4-((1S,3Ar,5S,11R,14As)-8,9-Dihydroxy-2,2,11-Trimethyl-13-(3-Methylbut-2-En-1-yl)-11-(4-Methylpent-3-En-1-yl)-4,7-Dioxo-2,3A,4,5,7,9,10,11-Octahydro-1H-1,5-Methanofuro[3,2-G]Pyrano[3,2-B]Xanthen-3A-yl)-2-Methylbut-2-Enoic Acid
• 中文名称新藤黄酸
• IUPAC名称(Z)-4-((1S,3aR,5S,11R,14aS)-8,9-dihydroxy-2,2,11-trimethyl-13-(3-methylbut-2-en-1-yl)-11-(4-methylpent-3-en-1-yl)-4,7-dioxo-1,2,5,7,10,11-hexahydro-9H-1,5-methanofuro[3,2-g]pyrano[3,2-b]xanthen-3a(4H)-yl)-2-methylbut-2-enoic acid
• 其它别名Neo-Gambogic Acid; 2-Butenoic Acid,4-[3A,4,5,7,10,11-Hexahydro-8,9-Dihydroxy-3,3,11-Trimethyl-13-(3-Methyl-2-Buten-1-yl)-11-(4-Methyl-3-Penten-1-yl)-7,15-Dioxo-1,5-Methano-1H,3H,9H-Furo[3,4-G]Pyrano[3,2-B]Xanthen-1-Yl]-2-Methyl-; 4-[3A,4,5,7,10,11-Hexahydro-8,9-Dihydroxy-3,3,11-Trimethyl-13-(3-Methyl-2-Buten-1-yl)-11-(4-Methyl-3-Penten-1-yl)-7,15-Dioxo-1,5-Methano-1H,3H,9H-Furo[3,4-G]Pyrano[3,2-B]Xanthen-1-Yl]-2-Methyl-2-Butenoic Acid; 2-Butenoic Acid, 4-[(1R,3As,5S,11R,14As)-3A,4,5,7,10,11-Hexahydro-8,9-Dihydroxy-3,3,11-Trimethyl-13-(3-Methyl-2-Buten-1-yl)-11-(4-Methyl-3-Penten-1-yl)-7,15-Dioxo-1,5-Methano-1H,3H,9H-Furo[3,4-G]Pyrano[3,2-B]Xanthen-1-Yl]-2-Methyl-, (2Z)-; 2-Dioleoyl-Sn-Glycero-3-Phosphoethanolamine; Neogamogic Acid; Neogambogic Acid-Rm; Neogambogic Acid, 10 Mm In Dmso
• CAS编号93772-31-7
• MFCD编号:MFCD32644736
• 分子式:C38H46O9分子量:646.78
• 产品CID: 1978718
• 产品分类生物化工 → 植物提取物

• 相似结构搜索
• 产品信息参考
• InChIKey: BLDWFKHVHHINGR-XACDLVPQSA-N
• InChI=1S/C38H46O9/c1-19(2)10-9-14-36(8)18-25(39)27-30(41)28-29(40)24-16-22-17-26-35(6,7)47-37(33(22)42,15-13-21(5)34(43)44)38(24,26)46-32(28)23(31(27)45-36)12-11-20(3)4/h
• 计算化学: 氢键受体数9.0氢键供体数3.0可旋转键数8.0

物理性质

• 沸点810.3±65.0 °C at 760 mmHg
• 闪点250.2±27.8 °C
• 密度1.3±0.1 g/cm3
• pKa:4.58±0.36(预测)
• PSA:139.59
• LogP:8.19
• 折射率1.627
• 蒸汽压0.0±3.0 mmHg at 25°C
• 溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
• 外观形态黄色结晶
• 储存条件2-8°C
• 产品应用该化合物用作内容确定,识别和药理实验;通过在体外G0/G1阶段诱发吸附和细胞循环阻塞,显示出抗癌活动;抑制各种癌症细胞线(包括HCT-8,BEL-7402,BGC-823,A549和A2780)的扩散,其IC50值介于1.75至3微米之间;抑制活体中裸体小鼠A-549诱发的肿瘤生长;并显示对抗甲胺菌抗体细胞尿素(MRSA)的重大抑制活动.

MSDS等安全信息

• GHS符号GHS06
• 警示词Danger
• 危险描述H301-H335
• 防范说明P261-P264-P270-P271-P301+P310+P330-P304+P340+P312-P403+P233-P405-P501

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902600000-乙苯
  2905122000-异丙醇
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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