CAS: 104901-05-5; Methyl (2S,4As,6S,6Ar,9R,10As,10Bs)-2-(Furan-3-yl)-9-Hydroxy-6A,10B-Dimethyl-4-Oxo-6-(((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4,4A,5,6,6A,9,10,10A,10B-Decahydro-2H-Benzo[f]Isochromene-7-Carboxylate

• 英文名称Methyl (2S,4As,6S,6Ar,9R,10As,10Bs)-2-(Furan-3-yl)-9-Hydroxy-6A,10B-Dimethyl-4-Oxo-6-(((2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4,4A,5,6,6A,9,10,10A,10B-Decahydro-2H-Benzo[f]Isochromene-7-Carboxylate
• 中文名称甲基(2S,4AS,6S,6AR,9R,10AS,10BS)-2-(呋喃-3-基)-9-羟基-6A,10B-二甲基-4-氧代-6-(((2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟甲基)四氢-2H-吡喃-2-基)氧基)-1,4,4A,5,6,6A,9,10,10A,10B-十氢-2H-苯甲酸[F]H-7-羧酸甲酯
• IUPAC名称methyl (2S,4aS,6S,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate
• 其它别名[2S,(-)]-2β-(3-Furanyl)-6β-(β-D-Glucopyranosyloxy)-1,4,4Aα,5,6,6A,9,10,10Aα,10B-Decahydro-9α-Hydroxy-6Aα,10Bβ-Dimethyl-4-Oxo-2H-Naphtho[2,1-C]Pyran-7-Carboxylic Acid Methyl Ester; Borapetoside B; (-)-Borapetoside B; 2H-Naphtho[2,1-C]Pyran-7-Carboxylic Acid, 2-(3-Furanyl)-6-(β-D-Glucopyranosyloxy)-1,4,4A,5,6,6A,9,10,10A,10B-Decahydro-9-Hydroxy-6A,10B-Dimethyl-4-Oxo-, Methyl Ester, (2S,4As,6R,6Ar,9R,10As,10Bs)-; 2H-Naphtho[2,1-C]Pyran-7-Carboxylicacid, 2-(3-Furanyl)-6-(B-D-Glucopyranosyloxy)-1,4,4A,5,6,6A,9,10,10A,10B-Decahydro-9-Hydroxy-6A,10B-Dimethyl-4-Oxo-,Methyl Ester, (2S,4As,6R,6Ar,9R,10As,10Bs)-
• CAS编号104901-05-5
• MFCD编号:MFCD32644936
• 分子式:C27H36O12分子量:552.57
• 产品CID: 88442
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: XUOAZZCHOKUHCF-GEKJPJKESA-N
• InChI=1S/C27H36O12/c1-26-9-16(12-4-5-36-11-12)37-24(34)14(26)8-19(39-25-22(32)21(31)20(30)17(10-28)38-25)27(2)15(23(33)35-3)6-13(29)7-18(26)27/h4-6,11,13-14,16-22,25,28-3
• 计算化学: 氢键受体数12.0氢键供体数5.0可旋转键数6.0

物理性质

• 沸点762.6±60.0 °C(预测)
• 闪点415.0±32.9 °C
• 密度1.46±0.1 g/cm3(预测)
• pKa:12.89±0.70(预测)
• PSA:185.35
• LogP:-0.0346

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

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2905399001-1,3-丙二醇
  2905399002-1,4-丁二醇
• 💡 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