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羟基积雪草苷 | 34540-22-2

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中文名称:羟基积雪草苷
英文名称:Redermic
CAS No.:34540-22-2 分子式:C48H78O20 分子量:975.1209
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:羟基积雪草苷结构式
价格行情:羟基积雪草苷价格
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羟基积雪草苷的其他展现形式
  • 相关化合物
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积雪草苷 [(2S,3R,4R,5R,6S)-6-[[(2R,3R,4S,5R,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,2S,4aR,6aS,6aR,6bR,8aS,9R,10R,11R,12aR,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate CAS No.:16830-15-2
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常春藤苷 C [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate CAS No.:14216-03-6
名称和标识符
InChIKey BNMGUJRJUUDLHW-HCZMHFOYSA-N
Inchi 1S/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3/t19-,20+,21+,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42+,44-,45+,46-,47-,48+/m1/s1
SMILES O([H])[C@]1([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]4(C(=O)O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[C@@]6([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O6)O[C@@]6([H])[C@@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])[H])O6)O[H])O[H])O[H])O[H])O[H])O5)O[H])O[H])O[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@@]4([H])C3=C([H])C([H])([H])[C@]2([H])[C@@]2(C([H])([H])[H])C([H])([H])[C@]([H])([C@@]([H])([C@@](C([H])([H])[H])(C([H])([H])O[H])[C@@]21[H])O[H])O[H]
别名信息
- 中文别名 -
羟基积雪草苷 羟基积雪草甙 Madecassoside 羟基积雪草苷 标准品 zzstandard 品牌 羟基积雪草苷对照品 羟基积雪草苷 Madecassoside 羟基积雪草苷(P) 羟基积雪草苷(标准品) 羟基积雪草苷(积雪草苷A) 羟基积雪草苷,Madecassoside,植物提取物,标准品,对照品 羟基积雪草苷对照品 羟基积雪草苷羟基积雪草苷 羟基积雪草酸 分析对照品
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- 英文别名 -
Madecassoside Asiaticoside A Madecasoside MADECASSOSIDE(AS) MADECASSOSIDE(P) PrintBack Madecassoside, froM Centella asiatica MADESOIDE MADESOSIDE RederMic O-6-Deoxy-alpha-L-mannopyranosyl-(1.4)-O-beta-D-glucopyranosyl-(1.6)-beta-D-glucopyranosyl (2alpha,3beta,4alpha,6beta)-2,3,6,23-tetrahydroxyurs-12-en-28-oate Ursane Triterpene, 22 BDBM23212 DB15532 [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-tri [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
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物化性质
 计算特性
精确分子量 974.50900
氢键供体数量 13
氢键受体数量 20
可旋转化学键数量 10
同位素质量 974.509
重原子数量 68
复杂度 1860
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 28
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) -1.2
拓扑分子极性表面积 335
分子量 975.1
 实验特性
LogP -2.06200
PSA 335.44000
折射率 1.637
沸点 1043.6℃ at 760 mmHg
闪点 295.8 °C
溶解度 H2O: soluble1mg/mL, clear, colorless
颜色与性状 Powder
密度 1.4700
国际标准相关数据
EINECS 252-076-1
化合物详情(旧版)

SMILES

OC[C@@H]1[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@H](O)[C@@H](O)[C@H](OC[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O3)OC(=O)[C@]45[C@@H]([C@@H](C)[C@H](C)CC5)C6[C@@](CC4)(C)[C@@]7(C)[C@H](CC=6)[C@]8(C)[C@@H]([C@H](O)C7)[C@@](CO)(C)[C@@H](O)[C@H](O)C8)O1

扩展阅读
羟基积雪草苷 http://www.biopurify.cn/Phytochemicals/Madecassoside.html
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