CAS: 78432-78-7; 12-(Benzoyloxy)-4,9,11-Trihydroxy-4A-(Hydroxymethyl)-8,13,13-Trimethyl-5-Oxo-3,4,4A,5,6,9,10,11,12,12A-Decahydro-1H-7,11-Methanocyclodeca[3,4]Benzo[1,2-B]Oxete-6,12B(2Ah)-Diyl Diacetate

• 英文名称12-(Benzoyloxy)-4,9,11-Trihydroxy-4A-(Hydroxymethyl)-8,13,13-Trimethyl-5-Oxo-3,4,4A,5,6,9,10,11,12,12A-Decahydro-1H-7,11-Methanocyclodeca[3,4]Benzo[1,2-B]Oxete-6,12B(2Ah)-Diyl Diacetate
• 中文名称19-羟基浆果赤霉素 III
• IUPAC名称12-(benzoyloxy)-4,9,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate
• 其它别名19-Hydroxybaccatin Iii; 19-Hydroxylbaccatin Iii; 7,11-Methano-5H-Cyclodeca[3,4]Benz[1,2-B]Oxet-5-One,6,12B-Bis(Acetyloxy)-12-(Benzoyloxy)-1,2A,3,4,4A,6,9,10,11,12,12A,12B-Dodecahydro-4,9,11-Trihydroxy-4A-(Hydroxymethyl)-8,13,13-Trimethyl-,(2Ar,4S,4Ar,6R,9S,11S,12S,12Ar,12Bs)-; Levodropropizine Impurity 25; (2Ar,4S,4Ar,6R,9S,11S,12S,12Ar,12Bs)-12-(Benzoyloxy)-4,9,11-Trihydroxy-4A-(Hydroxymethyl)-8,13,13-Trimethyl-5-Oxo-2A,3,4,4A,5,6,9,10,11,12,12A,12B-Dodecahydro-1H-7,11-Methanocyclodeca[3,4]Benzo[1,2-B]Oxete-6,12B-Diyl Diacetate; (2Ar,4S,4Ar,6R,9S,11S,12S,12Ar,12Bs)-12-(Benzoyloxy)-4,9,11-Trihydroxy-4A-(Hydroxymethyl)-8,13,13-Trimethyl-5-Oxo-2A,3,4,4A,5,6,9,10,11,12,12A,12B-Dodecahydro-1H-7,11-Methanocyclodeca[3,4]Benzo[1,2-B]; 19-Hydroxybacatine Iii; Docetaxel Impurity 73
• CAS编号78432-78-7
• MFCD编号:MFCD17214887
• 分子式:C31H38O12分子量:602.63
• 产品CID: 1779364
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: SYDMVWLQJZBPIU-LSOODRMYSA-N
• InChI=1S/C31H38O12/c1-15-19(35)12-31(39)26(42-27(38)18-9-7-6-8-10-18)24-29(13-32,20(36)11-21-30(24,14-40-21)43-17(3)34)25(37)23(41-16(2)33)22(15)28(31,4)5/h6-10,19-21,23-
• 计算化学: 氢键受体数12.0氢键供体数4.0可旋转键数8.0

物理性质

• 熔点173-175 °C(溶剂: ethanol (64-17-5))
• 沸点752.1±60.0 °C at 760 mmHg
• 闪点239.9±26.4 °C
• 密度1.4±0.1 g/cm3
• pKa:12.66±0.70(预测)
• PSA:186.12
• LogP:3.39
• 折射率1.618
• 蒸汽压0.0±2.6 mmHg at 25°C
• 溶解性Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• 外观形态白色固体
• 储存条件-20°C 冷藏

MSDS等安全信息

• 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
• 💡 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