CAS号:--- - (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2'R,3S,3'R,4'S,5aR,7R,9R,9aR)-7-[[(3S,8R,9R,10R,13S,14S,17R)-3,17-dihydroxy-8,10,13-trimethyl-2,3,4,7,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]methoxy]-4'-methoxy-2',9-dimethylspiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepine-3,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol-科华智慧

1. 主信息

英文名:	(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2'R,3S,3'R,4'S,5aR,7R,9R,9aR)-7-[[(3S,8R,9R,10R,13S,14S,17R)-3,17-dihydroxy-8,10,13-trimethyl-2,3,4,7,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]methoxy]-4'-methoxy-2',9-dimethylspiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepine-3,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol
中文名:	-
CAS编号:	-
化学分子式：	C₆₁H₁₀₀O₂₃
化学分子量：	1201.4 g/mol
SMILES：	C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@@H]4[C@H](O[C@H](C[C@@H]4O)O[C@@H]5[C@H](O[C@]6(C[C@@H]5OC)CO[C@@H]7C[C@@H](O[C@@H]([C@H]7OO6)C)OC[C@]8(CC[C@@H]9[C@@]8(CC[C@@H]1[C@]9(CC=C2[C@@]1(CC[C@@H](C2)O)C)C)C)O)C)C)C)C)O)OC)O
来源：	-
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商

包装规格

含量

价格(元)

环境要求

货期

说明

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3. 结构

3.1 二维结构

3.2 三维结构

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4. 国际命名与标识

4.1 IUPAC Name

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2'R,3S,3'R,4'S,5aR,7R,9R,9aR)-7-[[(3S,8R,9R,10R,13S,14S,17R)-3,17-dihydroxy-8,10,13-trimethyl-2,3,4,7,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]methoxy]-4'-methoxy-2',9-dimethylspiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepine-3,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol

4.2 InChl

InChI=1S/C61H100O23/c1-29-48(65)55(70-12)49(66)56(77-29)81-52-32(4)76-47(24-39(52)68-10)79-51-31(3)74-45(22-37(51)63)78-50-30(2)75-46(23-38(50)64)80-53-34(6)82-61(26-41(53)69-11)28-71-40-25-44(73-33(5)54(40)83-84-61)72-27-60(67)20-16-43-58(8)17-13-35-21-36(62)14-18-57(35,7)42(58)15-19-59(43,60)9/h13,29-34,36-56,62-67H,14-28H2,1-12H3/t29-,30-,31-,32-,33-,34-,36+,37+,38+,39+,40-,41+,42+,43+,44-,45+,46+,47+,48+,49-,50-,51-,52-,53-,54-,55+,56+,57+,58-,59+,60+,61+/m1/s1

4.3 InChlKey

CHLGLBNHYZCTQI-PPUSFZPKSA-N

4.4 Canonical SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@@H]4[C@H](O[C@H](C[C@@H]4O)O[C@@H]5[C@H](O[C@]6(C[C@@H]5OC)CO[C@@H]7C[C@@H](O[C@@H]([C@H]7OO6)C)OC[C@]8(CC[C@@H]9[C@@]8(CC[C@@H]1[C@]9(CC=C2[C@@]1(CC[C@@H](C2)O)C)C)C)O)C)C)C)C)O)OC)O

4.5 lsomeric SMILES

4.6 SDF文件

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

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5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型