CAS: 244277-75-6; (1S,2S,3Ar,5R,9R,11R,13R,13Ar,E)-2,5,8,8-Tetramethyl-12-Methylene-9-(Nicotinoyloxy)-4-Oxo-1,2,3,4,5,8,9,10,11,12,13,13A-Dodecahydro-3Ah-Cyclopenta[12]Annulene-1,3A,11,13-Tetrayl Tetraacetate

• 英文名称(1S,2S,3Ar,5R,9R,11R,13R,13Ar,E)-2,5,8,8-Tetramethyl-12-Methylene-9-(Nicotinoyloxy)-4-Oxo-1,2,3,4,5,8,9,10,11,12,13,13A-Dodecahydro-3Ah-Cyclopenta[12]Annulene-1,3A,11,13-Tetrayl Tetraacetate
• 中文名称3-吡啶羧酸 (2S,3S,3AR,4R,6R,8R,10E,12R,13AR)-3,4,6,13A-四(乙酰氧基)-2,3,3A,4,5,6,7,8,9,12,13,13A-十二氢-2,9,9,12-四甲基-5-亚甲基-13-氧代-1H-环戊二烯并环十二碳六烯-8-基酯
• IUPAC名称(1S,2S,3aR,5R,9R,11R,13R,13aR,E)-2,5,8,8-tetramethyl-12-methylene-9-(nicotinoyloxy)-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulene-1,3a,11,13-tetrayl tetraacetate
• 其它别名3,5,7,15-Tetraacetoxy-9-Nicotin; 3,5,7,15-Tetraacetoxy-9-Nicotinoyloxy-6(17),11-Jatrophadien-14-One; 3-Pyridinecarboxylic Acid, (2S,3S,3Ar,4R,6R,8R,10E,12R,13Ar)-3,4,6,13A-Tetrakis(Acetyloxy)-2,3,3A,4,5,6,7,8,9,12,13,13A-Dodecahydro-2,9,9,12-Tetramethyl-5-Methylene-13-Oxo-1H-Cyclopentacyclododecen-8-Yl Ester
• CAS编号244277-75-6
• MFCD编号:MFCD28009405
• 分子式:C34H43NO11分子量:641.71
• 产品CID: 1192078
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;
• InChIKey: TXGHOMTZFCIHDL-JLACXKQRSA-N
• InChI=1S/C34H43NO11/c1-18-12-13-33(8,9)27(45-32(41)25-11-10-14-35-17-25)15-26(42-21(4)36)20(3)30(44-23(6)38)28-29(43-22(5)37)19(2)16-34(28,31(18)40)46-24(7)39/h10-14,17-1
• 计算化学: 氢键受体数12.0氢键供体数*可旋转键数11.0

物理性质

• 沸点669.2±55.0 °C at 760 mmHg
• 闪点358.5±31.5 °C
• 密度1.2±0.1 g/cm3
• pKa:3.09±0.10(预测)
• PSA:161.46
• LogP:5.11
• 折射率1.540
• 蒸汽压0.0±2.0 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

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