CAS: 382148-47-2; ((2R,3S,4S,5R,6S)-6-(((2S,3R,4S,5S)-3-(((2S,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-yl)Oxy)-5-Hydroxy-2-(((1S,2R,4Ar,6As,6Br,8Ar,10S,12Ar,12Br,14Ar,14Bs)-1-Hydroxy-1,6B,9,9,12A-Pentamethyl-2-(2-Methylprop-1-En-1-yl)Hexadecahydro-1H,6H-4A,6A-Methanonaphtho[1,2-H]Pyrano[2,3-C]Isochromen-10-yl)Oxy)Tetrahydro-2H-Pyran-4-yl)Oxy)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-yl)Methyl Hydrogen Sulfate

• 英文名称((2R,3S,4S,5R,6S)-6-(((2S,3R,4S,5S)-3-(((2S,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-yl)Oxy)-5-Hydroxy-2-(((1S,2R,4Ar,6As,6Br,8Ar,10S,12Ar,12Br,14Ar,14Bs)-1-Hydroxy-1,6B,9,9,12A-Pentamethyl-2-(2-Methylprop-1-En-1-yl)Hexadecahydro-1H,6H-4A,6A-Methanonaphtho[1,2-H]Pyrano[2,3-C]Isochromen-10-yl)Oxy)Tetrahydro-2H-Pyran-4-yl)Oxy)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-yl)Methyl Hydrogen Sulfate
• 中文名称假马齿苋皂苷 I
• IUPAC名称((2R,3S,4S,5R,6S)-6-(((2S,3R,4S,5S)-3-(((2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-5-hydroxy-2-(((1S,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14aR,14bS)-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methylprop-1-en-1-yl)hexadecahydro-1H,6H-4a,6a-methanonaphtho[1,2-h]pyrano[2,3-c]isochromen-10-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl hydrogen sulfate
• 其它别名Bacopaside I(Sh); Pseudojujubogenin 3-O-[α-L-Arabinofuranosyl-(1→2)-[6-O-Sulfo-β-D-Glucopyranosyl-(1→3)]-α-L-Arabinopyranoside]; α-L-Arabinopyranoside, (1S,2R,4Ar,6As,6Br,8Ar,10S,12Ar,12Br,14Ar,14Bs)-Hexadecahydro-1-Hydroxy-1,6B,9,9,12A-Pentamethyl-2-(2-Methyl-1-Propen-1-Yl)-4A,6A-Methano-1H,6H-Phenanthro[2,1-D]Pyrano[2,3-B]Pyran-10-Yl O-α-L-Arabinofuranosyl-(1→2)-O-[6-O-Sulfo-β-D-Glucopyranosyl-(1→3)]-; Inhibit,Inhibitor,Bacopaside I; Bacopaside I(As); Bacopaside I-Rm; Bacopaside I, 10 Mm In Dmso
• CAS编号382148-47-2
• MFCD编号:MFCD07779135
• FDA UNII编号:36B8WUA361
• 分子式:C46H74O20S分子量:979.15
• 产品CID: 1393496
• 产品分类分析化学 → 标准品 → 分析标准品

• 相似结构搜索
• InChIKey: SKFWOYHZBNAJGA-YAOMZRCFSA-N
• InChI=1S/C46H74O20S/c1-21(2)14-22-16-59-46-19-45(20-60-46)23(37(46)44(22,7)54)8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,45)6)64-40-36(66-38-33(52)30(49)25(15-47)62-38
• 计算化学: 氢键受体数20.0氢键供体数9.0可旋转键数11.0

物理性质

• 密度1.48±0.1 g/cm3 (20 °C 760 Torr)
• pKa:-3.54±0.18(预测)
• PSA:307.66
• LogP:1.3712
• 溶解性Methanol: Soluble
• 外观形态类白色至淡黄色固体
• 储存条件2-8°C
• 产品应用该化合物用于使用高性能液相色谱技术对BACOPA MONNIERI工厂的解析物进行量化." "请参考产品微粒分析证书,以获得关于适当仪器技术的更多信息.联系技术处,以进一步提供支持.

MSDS等安全信息

• UN编号NONH for all modes of transport
• WGK Germany3

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
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其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
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