CAS: 189109-45-3; 3,5,5-Trimethyl-4-(3-((3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Butyl)Cyclohex-2-En-1-One

• 英文名称3,5,5-Trimethyl-4-(3-((3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Butyl)Cyclohex-2-En-1-One
• 中文名称3,5,5-三甲基-4-(3-((3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-基)氧基)丁基)环己-2-烯-1-酮
• IUPAC名称3,5,5-trimethyl-4-(3-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)cyclohex-2-en-1-one
• 其它别名Byzantioside B; Byzantionoside B; 9-Epi-Blumenol C Beta-D-Glucopyranoside; 9-Epi-Blumenol C Glucoside; 2-Cyclohexen-1-One, 4-[(3S)-3-(β-D-Glucopyranosyloxy)Butyl]-3,5,5-Trimethyl-, (4R)-
• CAS编号189109-45-3
• MFCD编号:MFCD17214858
• 分子式:C19H32O7分子量:372.46
• 产品CID: 958462
• 产品分类天然产物 → 倍半萜

• 相似结构搜索
• InChIKey: NYLNHNDMNOPWAZ-UHFFFAOYSA-N
• InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3
• 计算化学: 氢键受体数7.0氢键供体数4.0可旋转键数6.0

物理性质

• 沸点547.8±50.0 °C(预测)
• 闪点188.9±23.6 °C
• 密度1.24±0.1 g/cm3(预测)
• pKa:12.92±0.70(预测)
• PSA:116.45
• LogP:0.5331

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
  2905310000-1,2-乙二醇
• 💡 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