CAS: 1221178-16-0; Methyl (2S,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)-1,4,6,6A,9,10,10A,10B-Octahydro-2H-Benzo[f]Isochromene-7-Carboxylate

• 英文名称Methyl (2S,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)-1,4,6,6A,9,10,10A,10B-Octahydro-2H-Benzo[f]Isochromene-7-Carboxylate
• 中文名称脱氢硼拉佩苷 B
• IUPAC名称methyl (2S,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)-1,4,6,6a,9,10,10a,10b-octahydro-2H-benzo[f]isochromene-7-carboxylate
• 其它别名Dehydroborapetoside B; (2S,6S,6Ar,9R,10As,10Bs)-2-(3-Furanyl)-6-(Beta-D-Glucopyranosyloxy)-1,4,6,6A,9,10,10A,10B-Octahydro-9-Hydroxy-6A,10B-Dimethyl-4-Oxo-2H-Naphtho[2,1-C]Pyran-7-Carboxylic Acid Methyl Ester; (2R,5R,6S,9S,10S,12S)-15,16-Epoxy-2-Hydroxy-6-O-(β-D-Glucopyranosyl)-Cleroda-3,7,13(16),14-Tetraen-17,12-Olid-18-Oic Acid Methyl Ester; 2H-Naphtho[2,1-C]Pyran-7-Carboxylic Acid, 2-(3-Furanyl)-6-(β-D-Glucopyranosyloxy)-1,4,6,6A,9,10,10A,10B-Octahydro-9-Hydroxy-6A,10B-Dimethyl-4-Oxo-, Methyl Ester, (2S,6S,6Ar,9R,10As,10Bs)-
• CAS编号1221178-16-0
• MFCD编号:MFCD28009411
• 分子式:C27H34O12分子量:550.56
• 产品CID: 315746
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: CGKGCFDWGXCUDW-CGNVXPGMSA-N
• InChI=1S/C27H34O12/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/h4-6,8,11,13,16-22,25,28-32
• 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791.5±60.0 °C at 760 mmHg
• 闪点432.5±32.9 °C
• 密度1.5±0.1 g/cm3
• PSA:185.35
• LogP:-0.84
• 折射率1.632
• 蒸汽压0.0±2.9 mmHg at 25°C
• 外观形态粉末
• 储存条件室温

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
• 危险品标志Xi
• 安全声明H303+H313+H333

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海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
• 💡 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