CAS: 93395-30-3; (3Ar,4R,6Ar,8S,9Ar,9Br)-4-Hydroxy-3,6,9-Trimethylene-8-(((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Decahydroazuleno[4,5-B]Furan-2(3H)-One

• 英文名称(3Ar,4R,6Ar,8S,9Ar,9Br)-4-Hydroxy-3,6,9-Trimethylene-8-(((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Decahydroazuleno[4,5-B]Furan-2(3H)-One
• 中文名称(3aR,4R,6aR,8S,9aR,9bR)-8-(β-D-吡喃葡萄糖基氧基)十氢-4-羟基-3,6,9-三(亚甲基)-薁并[4,5-b]呋喃-2(3H)-酮
• IUPAC名称(3aR,4R,6aR,8S,9aR,9bR)-4-hydroxy-3,6,9-trimethylene-8-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)decahydroazuleno[4,5-b]furan-2(3H)-one
• 其它别名8-Epicrepiside E; (3Ar,4R,6Ar,8S,9Ar,9Br)-8-(Beta-D-Glucopyranosyloxy)Decahydro-4-Hydroxy-3,6,9-Tris(Methylene)Azuleno[4,5-B]Furan-2(3H)-One; 8-Epi-Deacylcinaropicrin Glucoside; Azuleno[4,5-B]Furan-2(3H)-One, 8-(β-D-Glucopyranosyloxy)Decahydro-4-Hydroxy-3,6,9-Tris(Methylene)-, (3Ar,4R,6Ar,8S,9Ar,9Br)-
• CAS编号93395-30-3
• MFCD编号:MFCD28100337
• 分子式:C21H28O9分子量:424.45
• 产品CID: 1973216
• 产品分类天然产物 → 倍半萜

• 相似结构搜索
• InChIKey: XNFZJASXPNFCQW-CEJIZLNCSA-N
• InChI=1S/C21H28O9/c1-7-4-11(23)15-9(3)20(27)30-19(15)14-8(2)12(5-10(7)14)28-21-18(26)17(25)16(24)13(6-22)29-21/h10-19,21-26H,1-6H2/t10-,11+,12-,13+,14-,15+,16+,17-,18+,19
• 计算化学: 氢键受体数9.0氢键供体数5.0可旋转键数3.0

物理性质

• 沸点708.5±60.0 °C(预测)
• 闪点249.0±26.4 °C
• 密度1.45±0.1 g/cm3(预测)
• pKa:12.89±0.70(预测)
• PSA:145.91
• LogP:-1.2

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

上下游产品

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
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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