CAS: 220880-90-0; (1R,2R,4As,6As,6Br,8Ar,9As,12Ar,13Ar,13Br,15Bs)-1-Hydroxy-1,2,6A,6B,9,9,11,11,13A-Nonamethyl-1,3,4,5,6,6A,6B,7,8,8A,9,9A,12A,13,13A,13B,14,15B-Octadecahydropiceno[2,3-D][1,3]Dioxole-4A(2H)-Carboxylic Acid

• 英文名称(1R,2R,4As,6As,6Br,8Ar,9As,12Ar,13Ar,13Br,15Bs)-1-Hydroxy-1,2,6A,6B,9,9,11,11,13A-Nonamethyl-1,3,4,5,6,6A,6B,7,8,8A,9,9A,12A,13,13A,13B,14,15B-Octadecahydropiceno[2,3-D][1,3]Dioxole-4A(2H)-Carboxylic Acid
• 中文名称2,3-邻异亚丙基刺梨酸
• IUPAC名称(1R,2R,4aS,6aS,6bR,8aR,9aS,12aR,13aR,13bR,15bS)-1-hydroxy-1,2,6a,6b,9,9,11,11,13a-nonamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,9a,12a,13,13a,13b,14,15b-octadecahydropiceno[2,3-d][1,3]dioxole-4a(2H)-carboxylic acid
• 其它别名2,3-O-Isopropylidenyl Euscaphic Acid; Urs-12-En-28-Oic Acid, 19-Hydroxy-2,3-[(1-Methylethylidene)Bis(Oxy)]-, (2α,3α)-; Euscaphic Acid Acetonide
• CAS编号220880-90-0
• MFCD编号:MFCD20260786
• 分子式:C33H52O5分子量:528.77
• 产品CID: 1145536
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: UKGZFGGRLJUNFM-LIOKCZDNSA-N
• InChI=1S/C33H52O5/c1-19-12-15-33(26(34)35)17-16-30(7)20(24(33)32(19,9)36)10-11-23-29(6)18-21-25(38-28(4,5)37-21)27(2,3)22(29)13-14-31(23,30)8/h10,19,21-25,36H,11-18H2,1-9
• 计算化学: 氢键受体数5.0氢键供体数2.0可旋转键数1.0

物理性质

• 沸点606.1±55.0 °C at 760 mmHg
• 闪点184.6±25.0 °C
• 密度1.2±0.1 g/cm3
• pKa:4.48±0.70(预测)
• PSA:75.99
• LogP:7.91
• 折射率1.564
• 蒸汽压0.0±3.9 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2-8°C，干燥环境，密闭

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
• 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
  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