CAS: 325686-49-5; 4-((1S,3S,5R,8R)-1,5-Dimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-6-Oxabicyclo[3.2.1]Octan-8-yl)Butan-2-One

• 英文名称4-((1S,3S,5R,8R)-1,5-Dimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-6-Oxabicyclo[3.2.1]Octan-8-yl)Butan-2-One
• 中文名称4-((1S,3S,5R,8R)-1,5-二甲基-3-(((2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-基)氧基)-6-.[3.2.1]辛烷-8-基)丁-2-酮
• IUPAC名称4-((1S,3S,5R,8R)-1,5-dimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-oxabicyclo[3.2.1]octan-8-yl)butan-2-one
• 其它别名Ascleposide E; 4-[(1S,3S,5R,8R)-3-(Beta-D-Glucopyranosyloxy)-1,5-Dimethyl-6-Oxabicyclo[3.2.1]Oct-8-Yl]-2-Butanone; 2-Butanone, 4-[(1S,3S,5R,8R)-3-(β-D-Glucopyranosyloxy)-1,5-Dimethyl-6-Oxabicyclo[3.2.1]Oct-8-Yl]-
• CAS编号325686-49-5
• MFCD编号:MFCD11975486
• 分子式:C19H32O8分子量:388.46
• 产品CID: 1316662
• 产品分类天然产物 → 倍半萜

• 相似结构搜索
• InChIKey: FUGMJWOONJABQQ-QUQGRMMRSA-N
• InChI=1S/C19H32O8/c1-10(21)4-5-13-18(2)6-11(7-19(13,3)25-9-18)26-17-16(24)15(23)14(22)12(8-20)27-17/h11-17,20,22-24H,4-9H2,1-3H3/t11-,12+,13+,14+,15-,16+,17+,18+,19+/m0/s
• 计算化学: 氢键受体数8.0氢键供体数4.0可旋转键数6.0

物理性质

• 沸点558.8±50.0 °C(预测)
• 闪点206.6±23.6 °C
• 密度1.31±0.1 g/cm3(预测)
• pKa:12.91±0.70(预测)
• PSA:125.68
• LogP:-0.2541
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

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

• 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