CAS: 927812-23-5; (2S,3Ar,4S,4'S,5'R,6S,7Ar)-3A,4-Dihydroxy-4'-((4-Hydroxybenzoyl)Oxy)-5'-Methyl-3-Oxodecahydro-3H-Spiro[benzofuran-2,2'-Pyran]-6-Carboxylic Acid

• 英文名称(2S,3Ar,4S,4'S,5'R,6S,7Ar)-3A,4-Dihydroxy-4'-((4-Hydroxybenzoyl)Oxy)-5'-Methyl-3-Oxodecahydro-3H-Spiro[benzofuran-2,2'-Pyran]-6-Carboxylic Acid
• 中文名称(2S,3AR,4S,4'S,5'R,6S,7AR)-3A,4-二羟基-4'-((4-羟基苯甲酰基)氧基)-5'-甲基-3-氧代十氢-3H-.[苯并呋喃-2,2'-吡喃]-6-吡唑羧酸
• IUPAC名称(2S,3aR,4S,4'S,5'R,6S,7aR)-3a,4-dihydroxy-4'-((4-hydroxybenzoyl)oxy)-5'-methyl-3-oxodecahydro-3H-spiro[benzofuran-2,2'-pyran]-6-carboxylic acid
• 其它别名Glochicoccin D; Spiro[benzofuran-2(3H),2'-[2H]Pyran]-6-Carboxylic Acid, Decahydro-3A,4-Dihydroxy-4'-[(4-Hydroxybenzoyl)Oxy]-5'-Methyl-3-Oxo-, (2S,3Ar,4S,4'S,5'R,6S,7Ar)-
• CAS编号927812-23-5
• MFCD编号:MFCD20260584
• 分子式:C21H24O10分子量:436.41
• 产品CID: 1966380

• 相似结构搜索
• InChIKey: ABMLTSFSLUQUFY-XUAJAPSHSA-N
• InChI=1S/C21H24O10/c1-10-9-29-20(8-14(10)30-18(26)11-2-4-13(22)5-3-11)19(27)21(28)15(23)6-12(17(24)25)7-16(21)31-20/h2-5,10,12,14-16,22-23,28H,6-9H2,1H3,(H,24,25)/t10-,12
• 计算化学: 氢键受体数10.0氢键供体数4.0可旋转键数4.0

物理性质

• 沸点707.4±60.0 °C(预测)
• 闪点249.2±26.4 °C
• 密度1.55±0.1 g/cm3(预测)
• pKa:4.04±0.70(预测)
• PSA:159.82
• LogP:0.2248
• 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