CAS: 1053189-53-9; (1S,4Ar,5S,6R,6As,7S,11As,11Bs)-4A,7-Dihydroxy-4,4,7,11B-Tetramethyl-9-Oxo-1,2,3,4,4A,5,6,6A,7,9,11A,11B-Dodecahydrophenanthro[3,2-B]Furan-1,5,6-Triyl Triacetate

• 英文名称(1S,4Ar,5S,6R,6As,7S,11As,11Bs)-4A,7-Dihydroxy-4,4,7,11B-Tetramethyl-9-Oxo-1,2,3,4,4A,5,6,6A,7,9,11A,11B-Dodecahydrophenanthro[3,2-B]Furan-1,5,6-Triyl Triacetate
• 中文名称新云实苦素 O
• IUPAC名称(1S,4aR,5S,6R,6aS,7S,11aS,11bS)-4a,7-dihydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,5,6-triyl triacetate
• 其它别名Neocaesalpin O; Phenanthro[3,2-B]Furan-9(1H)-One, 1,5,6-Tris(Acetyloxy)-2,3,4,4A,5,6,6A,7,11A,11B-Decahydro-4A,7-Dihydroxy-4,4,7,11B-Tetramethyl-, (1S,4Ar,5S,6R,6As,7S,11As,11Bs)-
• CAS编号1053189-53-9
• MFCD编号:MFCD28385962
• 分子式:C26H34O10分子量:506.55
• 产品CID: 94122

• 相似结构搜索
• InChIKey: XKLBSFHFNUCCKY-UXYMEOMDSA-N
• InChI=1S/C26H34O10/c1-12(27)33-18-8-9-23(4,5)26(32)22(35-14(3)29)21(34-13(2)28)20-16(24(18,26)6)10-17-15(25(20,7)31)11-19(30)36-17/h10-11,16,18,20-22,31-32H,8-9H2,1-7H3/t
• 计算化学: 氢键受体数10.0氢键供体数2.0可旋转键数6.0

物理性质

• 沸点645.2±55.0 °C(预测)
• 闪点211.6±25.0 °C
• 密度1.34±0.1 g/cm3(预测)
• pKa:12.83±0.70(预测)
• PSA:145.66
• LogP:1.7166

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
  2905399001-1,3-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