CAS: 989-30-0; (1S,2R,4As,6As,6Br,10R,12Ar,12Br,14Bs)-10-Hydroxy-1,2,6A,6B,9,9,12A-Heptamethyl-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Icosahydropicene-4A-Carboxylic Acid

• 英文名称(1S,2R,4As,6As,6Br,10R,12Ar,12Br,14Bs)-10-Hydroxy-1,2,6A,6B,9,9,12A-Heptamethyl-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Icosahydropicene-4A-Carboxylic Acid
• 中文名称3-表熊果酸
• IUPAC名称(1S,2R,4aS,6aS,6bR,8aR,10R,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
• 其它别名3-Epiursolic Acid; (3Alpha)-3-Hydroxy-Urs-12-En-28-Oic Acid; (3α)-3-Hydroxy-Urs-12-En-28-Oic Acid; 3-Epiursolic Acid Usp/ep/bp; Inhibit,Cathepsin,3 Epiursolic Acid,3-Epiursolic Acid,3Epiursolic Acid,Inhibitor; Alitretinoin Impurity 23; (1S,2R,4As,6As,6Br,10R,12Ar,12Br,14Bs)-10-Hydroxy-1,2,6A,6B,9,9,12A-Heptamethyl-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Icosahydropicene-4A-Carboxylic Acid; 3-Epiursolic Acid, 10 Mm In Dmso
• CAS编号989-30-0
• MFCD编号:MFCD09752408
• 分子式:C30H48O3分子量:456.71
• 产品CID: 2028372
• 产品分类生物化工 → 中草药成分

• 相似结构搜索
• InChIKey: WCGUUGGRBIKTOS-XHINXETDSA-N
• InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-
• 计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数1.0

物理性质

• 熔点290-291 °C
• 沸点556.9±50.0 °C at 760 mmHg
• 闪点304.7±26.6 °C
• 密度1.1±0.1 g/cm3
• pKa:4.68±0.70(预测)
• PSA:57.53
• LogP:9.01
• 折射率1.555
• 蒸汽压0.0±3.4 mmHg at 25°C
• 溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
• 外观形态白色至类白色粉末
• 储存条件4°C, 避光
• 产品应用该化合物是一种与MYTRACEAE植物分离的三丁基动物,是L型甲壳类动物的一种具有竞争力的抑制剂,IC50和KI的值分别为6.5 ΜM和19.5 微克M;它没有显示对B型甲型动物的重大活动.

MSDS等安全信息

• 警示词warning
• 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P264Thoroughly clean after treatmentP280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective maskP305If it enters the eyesP351Rinse carefully with water for a few minutesP338Remove the contact lens(If any)And easy to operate,Continue flushingP337If eye irritation persistsP313Obtain medical advice/care
• 安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body

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
  2912110000-甲醛
• 💡 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