CAS: 208599-88-6; (2S,3S,4S,5R,6R)-4-(((2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)Tetrahydro-2H-Pyran-2-yl)Oxy)-5-(((2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-(((2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-yl)Oxy)Tetrahydro-2H-Pyran-2-yl)Oxy)-3-Hydroxy-6-(((3S,4Ar,6Ar,6Bs,8R,8As,12Ar,12Bs,14Ar,14Br)-8-Hydroxy-4,4,6A,6B,11,11,14B-Heptamethyloctadecahydro-1H,9H-12B,8A-(Epoxymethano)Picen-3-yl)Oxy)Tetrahydro-2H-Pyran-2-Carboxylic Acid

• 英文名称(2S,3S,4S,5R,6R)-4-(((2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)Tetrahydro-2H-Pyran-2-yl)Oxy)-5-(((2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-(((2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-yl)Oxy)Tetrahydro-2H-Pyran-2-yl)Oxy)-3-Hydroxy-6-(((3S,4Ar,6Ar,6Bs,8R,8As,12Ar,12Bs,14Ar,14Br)-8-Hydroxy-4,4,6A,6B,11,11,14B-Heptamethyloctadecahydro-1H,9H-12B,8A-(Epoxymethano)Picen-3-yl)Oxy)Tetrahydro-2H-Pyran-2-Carboxylic Acid
• 中文名称报春花皂苷 II
• IUPAC名称(2S,3S,4S,5R,6R)-4-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxy-6-(((3S,4aR,6aR,6bS,8R,8aS,12aR,12bS,14aR,14bR)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
• 其它别名Primulic Acid 2; Primulasaponin Ii; Primulic Acid Ii; β-D-Glucopyranosiduronic Acid, (3β,16α)-13,28-Epoxy-16-Hydroxyoleanan-3-Yl O-6-Deoxy-α-L-Mannopyranosyl-(1→2)-O-β-D-Galactopyranosyl-(1→3)-O-[o-β-D-Xylopyranosyl-(1→4)-β-D-Glucopyranosyl-(1→2)]-; Primulic Acid Ii-Rm
• CAS编号208599-88-6
• MFCD编号:MFCD09038816
• EINECS号:683-246-7
• 分子式:C59H96O27分子量:1237.39
• 产品CID: 1061112

• 相似结构搜索
• InChIKey: PDCAFVYIKFVFFL-IRJCFPFDSA-N
• InChI=1S/C59H96O27/c1-23-32(64)35(67)39(71)49(78-23)85-45-36(68)34(66)25(19-60)79-51(45)83-43-41(73)44(47(74)75)84-52(46(43)86-50-40(72)37(69)42(26(20-61)80-50)82-48-38(7
• 计算化学: 氢键受体数27.0氢键供体数15.0可旋转键数13.0

物理性质

• 密度1.51±0.1 g/cm3 (20 °C 760 Torr)
• PSA:422.05
• LogP:-2.7675
• 储存条件-20°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 危险类别急性毒性 类别3(经口)
• 警示词Danger(危险)
• 危险描述H301 |吞咽会中毒.
• 防范说明P264-P270-P301+P310-P321-P330-P405-P501

欧盟法规

C&L通报

合成工艺路线路线简述

海关参考信息

• 2905122000-异丙醇
  2905143000-叔丁醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 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
• ➥ Globally Harmonized System
• ➥ REACH监管

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✅ COA系统入驻 | 共享模式

合成参考文献

参考文献:10.5281/zenodo.5794106
摘要:The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106

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