CAS: 197781-85-4; (3Bs,3B1R,5Ar,6S,6Ar,10S,10As,10Bs)-6A,10-Dihydroxy-7,7,10A-Trimethyl-4-Oxo-3B,3B1,5A,6,6A,7,8,9,10,10A,10B,11-Dodecahydro-4H-Phenanthro[3,2-B:10,1-B'C']Difuran-6-Yl Acetate

• 英文名称(3Bs,3B1R,5Ar,6S,6Ar,10S,10As,10Bs)-6A,10-Dihydroxy-7,7,10A-Trimethyl-4-Oxo-3B,3B1,5A,6,6A,7,8,9,10,10A,10B,11-Dodecahydro-4H-Phenanthro[3,2-B:10,1-B'C']Difuran-6-Yl Acetate
• IUPAC名称(3bS,3b1R,5aR,6S,6aR,10S,10aS,10bS)-6a,10-dihydroxy-7,7,10a-trimethyl-4-oxo-3b,3b1,5a,6,6a,7,8,9,10,10a,10b,11-dodecahydro-4H-phenanthro[3,2-b:10,1-b'c']difuran-6-yl acetate
• 其它别名Bonducellpin D; Caesalpinin H; 4H-Phenanthro[3,2-B:10,1-B'C']Difuran-4-One, 6-(Acetyloxy)-3B,5A,6,6A,7,8,9,10,10A,10B,10C,11-Dodecahydro-6A,10-Dihydroxy-7,7,10A-Trimethyl-, (3Bs,5Ar,6S,6Ar,10S,10As,10Bs,10Cr)- (9Ci)
• CAS编号197781-85-4
• MFCD编号:MFCD28100601
• 分子式:C22H28O7分子量:404.46
• 产品CID: 1006494
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: WIKUZWCBCFNRHH-ZCQRYNMDSA-N
• InChI=1S/C22H28O7/c1-10(23)28-18-17-16-12(9-13-11(6-8-27-13)15(16)19(25)29-17)21(4)14(24)5-7-20(2,3)22(18,21)26/h6,8,12,14-18,24,26H,5,7,9H2,1-4H3/t12-,14-,15+,16+,17+,18
• 计算化学: 氢键受体数7.0氢键供体数2.0可旋转键数2.0

物理性质

• 熔点216-217°C
• 沸点518.5±50.0 °C(预测)
• 闪点267.4±30.1 °C
• 密度1.36±0.1 g/cm3(预测)
• pKa:13.57±0.70(预测)
• PSA:106.2
• LogP:1.9407
• 外观形态白色至类白色固体
• 储存条件储存在 -20°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

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 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