CAS: 104777-61-9; 10-Hydroxy-6A,6B,9,9,12A-Pentamethyl-2-Methylene-1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Octadecahydropicene-4A(2H)-Carboxylic Acid

• 英文名称10-Hydroxy-6A,6B,9,9,12A-Pentamethyl-2-Methylene-1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Octadecahydropicene-4A(2H)-Carboxylic Acid
• 中文名称3α-木通萜酸
• IUPAC名称10-hydroxy-6a,6b,9,9,12a-pentamethyl-2-methylene-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3Alpha-Akeboic Acid; 3Alpha-Akebonoic Acid; 3-Epiakebonoic Acid; (3Alpha)-3-Hydroxy-30-Noroleana-12,20(29)-Dien-28-Oic Acid; 30-Noroleana-12,20(29)-Dien-28-Oic Acid, 3-Hydroxy-, (3α)-; 3α Akebonoic Acid; 3αakebonoic Acid; 3α-Akebonoic Acid
• CAS编号104777-61-9
• MFCD编号:MFCD20260963
• 分子式:C29H44O3分子量:440.67
• 产品CID: 86716
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: XWVVPZWKCNXREE-UHFFFAOYSA-N
• InChI=1S/C29H44O3/c1-18-9-14-29(24(31)32)16-15-27(5)19(20(29)17-18)7-8-22-26(4)12-11-23(30)25(2,3)21(26)10-13-28(22,27)6/h7,20-23,30H,1,8-17H2,2-6H3,(H,31,32)
• 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

• 沸点556.6±50.0 °C at 760 mmHg
• 闪点304.5±26.6 °C
• 密度1.1±0.1 g/cm3
• PSA:57.53
• LogP:6.7636
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• 产品应用该化合物是一种Α-GLUCOSIDASE抑制剂(IC50 = 0.035 MM);它显示出抗菌活性和细胞毒性.

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

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海关参考信息

• 2905122000-异丙醇
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  2905191000-3,3-二甲基丁-2-醇
  2905222000-香茅醇
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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
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