CAS: 948046-15-9; 20(R)-Notoginsenoside R2

• 英文名称20(R)-Notoginsenoside R2
• 中文名称三七皂苷 R2 (R型)
• IUPAC名称(2S,3R,4S,5R)-2-(((2R,3R,4S,5S,6R)-2-(((3R,6R,8R,10R,12S,13S,14S,17S)-3,12-dihydroxy-17-((R)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-6-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol
• 其它别名20(R)-Notoginsenoside R2; (2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-17-[(2R)-2-Hydroxy-6-Methylhept-5-En-2-Yl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-6-Yl]Oxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Oxyoxane-3,4,5-Triol; β-D-Glucopyranoside, (3β,6α,12β,20R)-3,12,20-Trihydroxydammar-24-En-6-Yl 2-O-β-D-Xylopyranosyl-
• CAS编号948046-15-9
• MFCD编号:MFCD22125014
• 分子式:C41H70O13分子量:771.0
• 产品CID: 2000428
• 产品分类Chemistry → Asymmetric Synthesis → Chiral Building Blocks | Ethers | Tetrahydropyrans | Aliphatic Cyclic Hydrocarbons | Alcohols | Alkenyls

• 相似结构搜索
• InChIKey: FNIRVWPHRMMRQI-RFMRREALSA-N
• InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)
• 计算化学: 氢键受体数13.0氢键供体数9.0可旋转键数9.0

物理性质

• 沸点878.7±65.0 °C(预测)
• 密度1.31±0.1 g/cm3 (20 °C 760 Torr)
• pKa:12.85±0.70(预测)
• PSA:218.99
• LogP:1.7589
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

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-

合成工艺路线路线简述

• 80418-24-2 = 948046-15-9 + 948046-18-2 + 80952-71-2 + 63223-86-9 + 97744-96-2 + 948046-16-0 + 174721-08-5 + 80418-25-3
  反应条件:1.1 Solvents: Ethanol,Water; 4 D,26 °C
  标题:Microbial Transformation Of 20(S)-Protopanaxatriol-Type Saponins By Absidia Coerulea
  作者:Chen,Guangtong; Yang,Min; Lu,Zhiqiang; Zhang,Jinqiang; Huang,Huilian; Et Al
  参考文献:Journal Of Natural Products 日期:2007 卷标:70(7) 页码:1203-1206

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

专利信息

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