CAS: 20230-41-5; (3S,8R,9S,10R,11S,12S,13S,14S,17S)-11-Acetoxy-17-Acetyl-3-(((2R,4S,5R,6R)-5-(((2S,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-Dihydroxy-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-14-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-12-Yl 3-Methylbutanoate

• 英文名称(3S,8R,9S,10R,11S,12S,13S,14S,17S)-11-Acetoxy-17-Acetyl-3-(((2R,4S,5R,6R)-5-(((2S,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-Dihydroxy-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-14-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-12-Yl 3-Methylbutanoate
• 中文名称苦绳甙 AA1
• IUPAC名称(3S,8R,9S,10R,11S,12S,13S,14S,17S)-11-acetoxy-17-acetyl-3-(((2R,4S,5R,6R)-5-(((2S,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl 3-methylbutanoate
• 其它别名Dregeoside Aa1; Pregn-5-En-20-One, 11-(Acetyloxy)-3-[(O-6-Deoxy-3-O-Methyl-β-D-Allopyranosyl-(1→4)-O-2,6-Dideoxy-3-O-Methyl-β-D-Ribo-Hexopyranosyl-(1→4)-2,6-Dideoxy-3-O-Methyl-β-D-Ribo-Hexopyranosyl)Oxy]-14-Hydroxy-12-(3-Methyl-1-Oxobutoxy)-, (3β,11α,12β,14β)- (9Ci)
• CAS编号20230-41-5
• MFCD编号:MFCD23103705
• 分子式:C49H78O17分子量:939.15
• 产品CID: 1027338
• 产品分类天然产物 → 甾体化合物

• 相似结构搜索
• InChIKey: YBYQJMJCNJMYGM-MCMVXZTDSA-N
• InChI=1S/C49H78O17/c1-23(2)19-35(52)64-45-43(62-28(7)51)38-32(49(55)18-16-31(24(3)50)48(45,49)9)14-13-29-20-30(15-17-47(29,38)8)63-36-21-33(56-10)41(26(5)59-36)65-37-22-3
• 计算化学: 氢键受体数17.0氢键供体数3.0可旋转键数16.0

物理性质

• 熔点130.5 - 133 °C
• 沸点902.2±65.0 °C at 760 mmHg
• 闪点249.5±27.8 °C
• 密度1.3±0.1 g/cm3
• pKa:12.89±0.70(预测)
• PSA:213.43
• LogP:5.6
• 折射率1.552
• 蒸汽压0.0±0.6 mmHg at 25°C
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密闭

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
  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
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管