CAS: 68144-21-8; Jujuboside B1

• 英文名称Jujuboside B1
• 中文名称酸枣仁皂苷B1
• IUPAC名称(2R,3R,4S,5R,6R)-2-(((2S,3R,4S,5S)-4-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-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)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
• 其它别名(3Beta,16Beta,23R)-16,23:16,30-Diepoxy-20-Hydroxydammar-24-En-3-Yl O-6-Deoxy-Alpha-D-Galactopyranosyl-(1-2)-O-[o-Beta-D-Xylopyranosyl-(1-2)-Beta-D-Glucopyranosyl-(1-3)]-Alpha-L-Arabinopyranoside; Jujuboside B1; (3Beta,16Beta,23R)-16,23; 16,30-Diepoxy-20-Hydroxydammar-24-En-3-Yl O-6-Deoxy-Alpha-D-Galactopyranosyl-(1-2)-O-[o-Beta-D-Xylopyranosyl-(1-2)-Beta-D-Glucopyranosyl-(1-3)]-Alpha-L-Arabinopyranoside; Jujuboside B (Compound I); α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-Diepoxy-20-Hydroxydammar-24-En-3-Yl O-6-Deoxy-α-D-Galactopyranosyl-(1→2)-O-[o-β-D-Xylopyranosyl-(1→2)-β-D-Glucopyranosyl-(1→3)]-
• CAS编号68144-21-8
• MFCD编号:MFCD28009139
• 分子式:C52H84O21
• 分子量:1045.22
• 产品CID: 1669580
• 产品分类生物化工 → 植物提取物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: OAVAUZCEOWCYCC-JHTONXGASA-N
• InChI=1S/C52H84O21/c1-22(2)15-24-16-50(8,63)42-25-9-10-30-48(6)13-12-31(47(4,5)29(48)11-14-49(30,7)51(25)20-52(42,73-24)66-21-51)69-45-41(72…
• 计算化学: 氢键受体数21.0氢键供体数11.0可旋转键数10.0

物理性质

• 熔点222-225°C
• 密度1.4±0.1 g/cm3
• pKa:12.84±0.70(预测)
• PSA:314.83
• LogP:7.53
• 折射率1.628
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密封保存

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-P304+P340+P311-P361+P364-P405-P501-
• 危险品标志Xi

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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• 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
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• ➥ REACH监管