CAS: 157408-08-7; (2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5R,6R)-3-(((2S,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-yl)Oxy)-5-Hydroxy-2-(((1S,3R,4As,6As,6Br,8Ar,10S,12Ar,12Br,14Ar,14Bs)-1-Hydroxy-1,6B,9,9,12A-Pentamethyl-3-(2-Methylprop-1-En-1-yl)Hexadecahydro-1H,6H-4A,6A-Methanonaphtho[1,2-H]Pyrano[2,3-C]Isochromen-10-yl)Oxy)-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-4-yl)Oxy)-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3,4,5-Triol

• 英文名称(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5R,6R)-3-(((2S,3R,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-yl)Oxy)-5-Hydroxy-2-(((1S,3R,4As,6As,6Br,8Ar,10S,12Ar,12Br,14Ar,14Bs)-1-Hydroxy-1,6B,9,9,12A-Pentamethyl-3-(2-Methylprop-1-En-1-yl)Hexadecahydro-1H,6H-4A,6A-Methanonaphtho[1,2-H]Pyrano[2,3-C]Isochromen-10-yl)Oxy)-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-4-yl)Oxy)-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3,4,5-Triol
• 中文名称白花猪母菜甙 A3
• IUPAC名称Bacoside A3
• 其它别名Bacoside A3(P); Bacoside A3(Sh); Bacoside A3 (15 Mg); (3β,16β,23R)-16,23:16,30-Diepoxy-20-Hydroxydammar-24-En-3-Yl O-α-L-Arabinofuranosyl-(1→2)-O-[β-D-Glucopyranosyl-(1→3)]-β-D-Glucopyranoside; Jujubogenin 3-O-[α-L-Arabinofuranosyl-(1→2)-O-[β-D-Glucopyranosyl-(1→3)]-β-D-Glucopyranoside]; β-D-Glucopyranoside, (3β,16β,23R)-16,23:16,30-Diepoxy-20-Hydroxydammar-24-En-3-Yl O-α-L-Arabinofuranosyl-(1→2)-O-[β-D-Glucopyranosyl-(1→3)]-; (3Beta,16Beta,23R)-16,23:16,30-Diepoxy-20-Hydroxydammar-24-En-3-Yl O-α-L-Arabinofuranosyl-(1-2)-O-(β-D-Glucopyranosyl-(1-3))-β-D-Glucopyranoside
• CAS编号157408-08-7
• MFCD编号:MFCD07779137
• FDA UNII编号:1S862DJ73F
• 分子式:C47H76O18分子量:929.11
• 产品CID: 786598
• 产品分类分析化学 → 标准品 → 分析标准品

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: CDEVGTJBRPBOPH-INTDMYAHSA-N
• InChI=1S/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)58-20-46)62-41-37(64-39-34(55)31(52)25(17-49)60-39)
• 计算化学: 氢键受体数18.0氢键供体数10.0可旋转键数10.0

物理性质

• 密度1.43
• pKa:12.78±0.70(预测)
• PSA:276.14
• LogP:-0.0333
• 溶解性Methanol: Slightly, Sonicated; Pyridine: Slightly Soluble
• 外观形态白色至类白色固体
• 储存条件2-8°C
• 产品应用该化合物用于潜在的抗癌化合物,

MSDS等安全信息

• 警示词Danger
• 危险描述H301+H311+H331-
• 防范说明P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312-P361+P364-P403+P233-P405-P501-
• UN编号UN 1993C 3 / PGIII
• WGK Germany3

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海关参考信息

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