CAS: 66663-92-1; Polygalacin D2

• 英文名称Polygalacin D2
• 中文名称24-去氧桔梗皂苷d2
• IUPAC名称(2S,3R,4S,5S)-3-(((2S,3R,4S,5R,6S)-5-(((2S,3R,4S,5R)-4-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl (4aR,5R,6aS,6bR,8aR,9S,10R,11S,12aR,12bR,14bS)-10-(((2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate
• 其它别名Olean-12-En-28-Oic Acid, 3-[(3-O-β-D-Glucopyranosyl-β-D-Glucopyranosyl)Oxy]-2,16,23-Trihydroxy-, O-D-Apio-β-D-Furanosyl-(1→3)-O-β-D-Xylopyranosyl-(1→4)-O-6-Deoxy-α-L-Mannopyranosyl-(1→2)-α-L-Arabinopyranosyl Ester, (2β,3β,4β,16α)-; Polygulacin D2; Platycoside G3
• CAS编号66663-92-1
• 分子式:C63H102O32分子量:1371.48
• 产品CID: 1647904

• 相似结构搜索
• InChIKey: DSHSDWSTXKYPEQ-UDVDIBAVSA-N
• InChI=1S/C63H102O32/c1-24-44(90-50-42(79)45(29(70)20-84-50)91-55-48(81)62(83,22-67)23-86-55)39(76)41(78)51(87-24)93-47-35(72)28(69)19-85-54(47)95-56(82)63-13-12-57(2,3)14
• 计算化学: 氢键受体数32.0氢键供体数19.0可旋转键数17.0

物理性质

• 密度1.58±0.1 g/cm3(预测)
• pKa:12.70±0.70(预测)
• LogP:-4.1

MSDS等安全信息

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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