CAS: 952473-86-8; (1S,4Ar,5S,6R,6As,7S,10Ar,11As,11Bs)-4A,7,10A-Trihydroxy-4,4,7,11B-Tetramethyl-9-Oxo-1,2,3,4,4A,5,6,6A,7,9,10A,11,11A,11B-Tetradecahydrophenanthro[3,2-B]Furan-1,5,6-Triyl Triacetate

• 英文名称(1S,4Ar,5S,6R,6As,7S,10Ar,11As,11Bs)-4A,7,10A-Trihydroxy-4,4,7,11B-Tetramethyl-9-Oxo-1,2,3,4,4A,5,6,6A,7,9,10A,11,11A,11B-Tetradecahydrophenanthro[3,2-B]Furan-1,5,6-Triyl Triacetate
• 中文名称新云实苦素 L
• IUPAC名称(1S,4aR,5S,6R,6aS,7S,10aR,11aS,11bS)-4a,7,10a-trihydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1,5,6-triyl triacetate
• 其它别名Neocaesalpin L; 14-O-Demethylneocaesalpin M; Phenanthro[3,2-B]Furan-9(1H)-One, 1,5,6-Tris(Acetyloxy)-2,3,4,4A,5,6,6A,7,10A,11,11A,11B-Dodecahydro-4A,7,10A-Trihydroxy-4,4,7,11B-Tetramethyl-, (1S,4Ar,5S,6R,6As,7S,10Ar,11As,11Bs)-
• CAS编号952473-86-8
• MFCD编号:MFCD28385963
• 分子式:C26H36O11分子量:524.56
• 产品CID: 2005424

• 相似结构搜索
• InChIKey: OXWMFXBPLWSUMS-UPCXZGNHSA-N
• InChI=1S/C26H36O11/c1-12(27)34-17-8-9-22(4,5)26(33)21(36-14(3)29)20(35-13(2)28)19-15(23(17,26)6)11-25(32)16(24(19,7)31)10-18(30)37-25/h10,15,17,19-21,31-33H,8-9,11H2,1-7H
• 计算化学: 氢键受体数11.0氢键供体数3.0可旋转键数6.0

物理性质

• 沸点663.4±55.0 °C(预测)
• 闪点216.6±25.0 °C
• 密度1.37±0.1 g/cm3(预测)
• pKa:9.81±0.70(预测)
• PSA:165.89
• LogP:0.9114

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
• 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
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• 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