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番泻苷 C | 37271-16-2

番泻苷 C结构式图片|37271-16-2结构式图片
番泻苷 C
Sennoside C
37271-16-2
C42H40O19
848.7556
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:番泻苷 C结构式
番泻苷 CMSDS
46173829
番泻苷 C价格
简介
Sennoside C 是一种蒽醌苷,在番泻叶 (Cassia angustifolia) 的叶子和豆荚中发现。
名称和标识符
MDL MFCD10566624
InChIKey ZFWOUNNKSHIAFK-HYEMBXARSA-N
Inchi 1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/t24-,25-,26?,27-,32-,33-,36+,37+,38-,39-,41?,42-/m1/s1
SMILES O(C1=C([H])C([H])=C([H])C2=C1C(C1C(=C([H])C(C([H])([H])O[H])=C([H])C=1C2([H])[C@@]1([H])C2C([H])=C(C(=O)O[H])C([H])=C(C=2C(C2C(=C([H])C([H])=C([H])C1=2)O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])=O)O[H])O[H])=O)C1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H]
别名信息
- 中文别名 -
  • 番泻苷 C
  • 番泻苷ç
  • 番泻苷C(标准品)
  • 番泻苷C,Sennoside C,植物提取物,标准品,对照品
  • 番泻苷C对照品
  • 蕃泻苷C
  • 番泻甙C
  • 番泻苷C
  • 番泻苷C(对照品)
- 英文别名 -
  • Sennoside C
  • [9,9'-Bianthracene]-2-carboxylicacid, 5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-,(9R,9'R)-rel-
  • Sennosid C
  • Sennoside-C
  • CID 138454318
  • Q-100439
  • (9,9'-BIANTHRACENE)-2-CARBOXYLIC ACID, 5,5'-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-9,9',10,10'-TETRAHYDRO-4,4'-DIHYDROXY-2'-(HYDROXYMETHYL)-10,10'-DIOXO-, (9R,9'R)-REL-
  • (9,9'-Bianthracene)-2-carboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-, (R*,R*)-
  • 26403-11-2
  • UNII-UQ166P8802
  • SENNOSIDE C (CONSTITUENT OF SENNA LEAF AND PODS) [DSC]
  • 37271-16-2
  • (9R)-4-hydroxy-9-[(9R)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
  • C16797
  • Q27149784
  • UQ166P8802
  • AKOS025287037
  • CHEBI:80734
  • AC-6077
  • AKOS025402189
  • AKOS025402189
  • CS-0018292
  • CS-0018292
  • MS-31570
  • MS-31570
  • [9,9'-Bianthracene]-2-carboxylic acid,5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-, (9R,9'R)-rel-
  • [9,9'-Bianthracene]-2-carboxylic acid,5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-, (9R,9'R)-rel-
  • Sennoside-D
  • Sennoside-D
  • 4-hydroxy-9-[4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
  • 4-hydroxy-9-[4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
  • AC-6078
  • AC-6078
  • HY-N1972
  • HY-N1972
物化性质
实验特性
LogP -1.30150
PSA 330.89000
折射率 1.757
沸点 1130.3±65.0℃ at 760 mmHg
熔点 No data available
闪点 华氏:651.2 °F
摄氏:344 °C
颜色与性状 Yellow powder
密度 1.71
计算特性
精确分子量 848.21600
氢键供体数量 12
氢键受体数量 19
可旋转化学键数量 9
同位素质量 848.21637904 g/mol
重原子数量 61
复杂度 1580
同位素原子数量 0
确定原子立构中心数量 10
不确定原子立构中心数量 2
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 0.8
拓扑分子极性表面积 331
分子量 848.8
专业数据库参考
PubChemId 46173829
化合物详情(旧版)

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)OC2C3=C(C=CC=2)[C@H](C4=C(C(O)=CC(CO)=C4)C3=O)[C@H]5C6=C(C(O)=CC(C(O)=O)=C6)C(=O)C7=C5C=CC=C7O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8

化合物种类

Anthraquinones 蒽醌类

来源

豆科植物狭叶番泻Cassia angutifolia Vahl.的荚

外观

黄色粉末

扩展阅读
番泻苷C http://www.biopurify.cn/Phytochemicals/Sennoside%20C.html
番泻苷 C推荐生产厂家
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