CAS: 93395-31-4; 3,6,9-Trimethylene-2-Oxo-8-((3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Dodecahydroazuleno[4,5-B]Furan-4-Yl 2-Hydroxy-2-Methyl-3-Oxobutanoate

• 英文名称3,6,9-Trimethylene-2-Oxo-8-((3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)Dodecahydroazuleno[4,5-B]Furan-4-Yl 2-Hydroxy-2-Methyl-3-Oxobutanoate
• 中文名称(2R)-2-羟基-2-甲基-3-氧代丁酸(3AR,4R,6AR,8S,9AR,9BR)-8-(β-D-吡喃葡萄糖基氧基)十二氢-3,6,9-三(亚甲基)-2-氧代并[4,5-B]呋喃-4-基酯
• IUPAC名称3,6,9-trimethylene-2-oxo-8-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)dodecahydroazuleno[4,5-b]furan-4-yl 2-hydroxy-2-methyl-3-oxobutanoate
• 其它别名8β-(2-Hydroxy-2-Methyl-3-Oxobutyryloxy)Glucozaluzanin C; (2R)-2-Hydroxy-2-Methyl-3-Oxobutanoic Acid (3Ar,4R,6Ar,8S,9Ar,9Br)-8-(Beta-D-Glucopyranosyloxy)Dodecahydro-3,6,9-Tris(Methylene)-2-Oxoazuleno[4,5-B]Furan-4-Yl Ester; 8Beta-(2-Hydroxy-2-Methyl-3-Oxobutyryloxy)Glucozaluzanin C; Butanoic Acid, 2-Hydroxy-2-Methyl-3-Oxo-, (3Ar,4R,6Ar,8S,9Ar,9Br)-8-(β-D-Glucopyranosyloxy)Dodecahydro-3,6,9-Tris(Methylene)-2-Oxoazuleno[4,5-B]Furan-4-Yl Ester, (2R)- (9Ci); 8β-(2-Hydroxy-2-Methyl-3-Oxobutyryloxy)Glucozaluzanin C
• CAS编号93395-31-4
• MFCD编号:MFCD28100340
• 分子式:C26H34O12分子量:538.55
• 产品CID: 1973218
• 产品分类天然产物 → 倍半萜

• 相似结构搜索
• InChIKey: ZFRBQIGYWHKJRW-UHFFFAOYNA-N
• InChI=1S/C26H34O12/c1-9-6-15(37-25(33)26(5,34)12(4)28)18-11(3)23(32)38-22(18)17-10(2)14(7-13(9)17)35-24-21(31)20(30)19(29)16(8-27)36-24/h13-22,24,27,29-31,34H,1-3,6-8H2,4
• 计算化学: 氢键受体数12.0氢键供体数5.0可旋转键数7.0

物理性质

• 沸点772.3±60.0 °C(预测)
• 闪点256.5±26.4 °C
• 密度1.44±0.1 g/cm3(预测)
• pKa:10.89±0.29(预测)
• PSA:189.28
• LogP:-1.3267

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

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
• 💡 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