CAS: 142203-64-3; (1'S,2R,3'S,4A'R,5'S,6'S,8'S,11'R,12'R,12A'S)-1',6',12'-Trihydroxy-9',12A',13',13'-Tetramethyl-2',3',4A',5',6',7',8',11',12',12A'-Decahydro-1'H-Spiro[oxirane-2,4'-[6,10]Methanobenzo[10]Annulene]-3',5',8',11'-Tetrayl Tetraacetate

• 英文名称(1'S,2R,3'S,4A'R,5'S,6'S,8'S,11'R,12'R,12A'S)-1',6',12'-Trihydroxy-9',12A',13',13'-Tetramethyl-2',3',4A',5',6',7',8',11',12',12A'-Decahydro-1'H-Spiro[oxirane-2,4'-[6,10]Methanobenzo[10]Annulene]-3',5',8',11'-Tetrayl Tetraacetate
• 中文名称紫杉醇B
• IUPAC名称(1'S,2R,3'S,4a'R,5'S,6'S,8'S,11'R,12'R,12a'S)-1',6',12'-trihydroxy-9',12a',13',13'-tetramethyl-2',3',4a',5',6',7',8',11',12',12a'-decahydro-1'H-spiro[oxirane-2,4'-[6,10]methanobenzo[10]annulene]-3',5',8',11'-tetrayl tetraacetate
• 其它别名1-Hydroxy-7,9-Dideacetylbaccatin I; Spiro[6,10-Methanobenzocyclodecene-4(1H),2'-Oxirane]-1,3,5,8,9,11,12-Heptol, 2,3,4A,5,6,7,8,11,12,12A-Decahydro-9,12A,13,13-Tetramethyl-, 3,5,8,11-Tetraacetate, (1S,2'R,3S,4Ar,5S,6S,8S,11R,12R,12As)-; Hddabi; [(1'S,2R,3'R,8'S)-2',10',13'-Triacetyloxy-1',7',9'-Trihydroxy-8',12',15',15'-Tetramethylspiro[oxirane-2,4'-Tricyclo[9.3.1.03,8]Penta Dec-11-Ene]-5'-Yl] Acetate
• CAS编号142203-64-3
• MFCD编号:MFCD32644937
• 分子式:C28H40O12分子量:568.62
• 产品CID: 646614
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: WJMBBODKITXTJA-YHGXYTIQSA-N
• InChI=1S/C28H40O12/c1-12-17(37-13(2)29)10-28(35)24(40-16(5)32)22-26(8,18(33)9-19(38-14(3)30)27(22)11-36-27)23(34)21(39-15(4)31)20(12)25(28,6)7/h17-19,21-24,33-35H,9-11H2,
• 计算化学: 氢键受体数12.0氢键供体数3.0可旋转键数8.0

物理性质

• 沸点633.8±55.0 °C(预测)
• 闪点199 °C
• 密度1.35±0.1 g/cm3(预测)
• pKa:12.86±0.70(预测)
• PSA:178.42
• LogP:0.7213
• 蒸汽压0 mmHg at 25 °C

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
• 💡 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