CAS: 194027-11-7; (1R,2R,4As,6As,6Br,8R,8Ar,12Ar,12Br,14Bs)-1,8-Dihydroxy-1,2,6A,6B,9,9,12A-Heptamethyl-10-Oxo-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(1R,2R,4As,6As,6Br,8R,8Ar,12Ar,12Br,14Bs)-1,8-Dihydroxy-1,2,6A,6B,9,9,12A-Heptamethyl-10-Oxo-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6,19-二羟基乌苏-12-烯-3-氧代-28-酸
• IUPAC名称(1R,2R,4aS,6aS,6bR,8R,8aR,12aR,12bR,14bS)-1,8-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-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6,19-Dihydroxyurs-12-En-3-Oxo-28-Oic Acid; 6β,19-Dihydroxy-3-Oxours-12-En-28-Oic Acid; (6Alpha)-6,19-Dihydroxy-3-Oxours-12-En-28-Oic Acid; Urs-12-En-28-Oic Acid, 6,19-Dihydroxy-3-Oxo-, (6α)-; 6β,19-Dihydroxy-3-Oxours-12-En-28-Oicacid; 19-Dihydroxy-3-Oxours-12-En-28-Oic Acid
• CAS编号194027-11-7
• MFCD编号:MFCD20260655
• 分子式:C30H46O5分子量:486.69
• 产品CID: 987354
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: FBFIXJZBTJKFHW-YMRXGCIXSA-N
• InChI=1S/C30H46O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-20-26(4)12-11-21(32)25(2,3)23(26)19(31)16-28(20,27)6/h8,17,19-20,22-23,31,35H,9-16H2,1-7H3,(H
• 计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数1.0

物理性质

• 沸点616.9±55.0 °C(预测)
• 闪点340.9±28.0 °C
• 密度1.18±0.1 g/cm3(预测)
• pKa:4.45±0.70(预测)
• PSA:94.83
• LogP:5.3834
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 产品应用该化合物用作骨质疏松症研究.

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
  2905122000-异丙醇
  2905143000-叔丁醇
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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