CAS: 262272-76-4; (1R,3As,5Ar,5Br,7Ar,9R,11Ar,11Br,13Ar,13Bs)-9-Acetoxy-1-Acetyl-5A,5B,8,11A-Tetramethylicosahydro-3Ah-Cyclopenta[a]Chrysene-3A,8-Dicarboxylic Acid

• 英文名称(1R,3As,5Ar,5Br,7Ar,9R,11Ar,11Br,13Ar,13Bs)-9-Acetoxy-1-Acetyl-5A,5B,8,11A-Tetramethylicosahydro-3Ah-Cyclopenta[a]Chrysene-3A,8-Dicarboxylic Acid
• 中文名称(3α,4α)-3-(乙酰氧基)-20-氧代-30-去甲羽扇烷-23,28-二酸
• IUPAC名称(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-9-acetoxy-1-acetyl-5a,5b,8,11a-tetramethylicosahydro-3aH-cyclopenta[a]chrysene-3a,8-dicarboxylic acid
• 其它别名3α-Acetoxy-20-Oxo-29-Norlupane-23,28-Dioic Acid; (3Alpha,4Alpha)-3-(Acetyloxy)-20-Oxo-30-Norlupane-23,28-Dioic Acid; 3Alpha-Acetoxy-20-Oxo-29-Norlupane-23,28-Dioic Acid; 3α-Acetoxy-20-Oxo-29-Norlupane-; 30-Norlupane-23,28-Dioic Acid, 3-(Acetyloxy)-20-Oxo-, (3α,4α)- (9Ci); 3α-Acetoxy-20-Oxo-29-Norlupane-23,28-Dioic Acid
• CAS编号262272-76-4
• MFCD编号:MFCD28100312
• 分子式:C31H46O7分子量:530.7
• 产品CID: 1233164
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: HYMCMWIFWYXIRT-MMOPMGNUSA-N
• InChI=1S/C31H46O7/c1-17(32)19-9-14-31(26(36)37)16-15-28(4)20(24(19)31)7-8-21-27(3)12-11-23(38-18(2)33)30(6,25(34)35)22(27)10-13-29(21,28)5/h19-24H,7-16H2,1-6H3,(H,34,35)(
• 计算化学: 氢键受体数7.0氢键供体数2.0可旋转键数5.0

物理性质

• 沸点641.5±40.0 °C at 760 mmHg
• 闪点200.8±20.8 °C
• 密度1.2±0.1 g/cm3
• pKa:4.30±0.70(预测)
• PSA:117.97
• LogP:5.89
• 折射率1.560
• 蒸汽压0.0±4.1 mmHg at 25°C
• 外观形态粉末
• 储存条件室温

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

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海关参考信息

• 2905122000-异丙醇
  2905399001-1,3-丙二醇
  2909110000-乙醚
  2912110000-甲醛
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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
• ➥ Globally Harmonized System
• ➥ REACH监管