CAS号:80971-60-4-butyl fructofuranoside - Butyl fructofuranoside-科华智慧

1. 主信息

英文名:	Butyl fructofuranoside
中文名:	butyl fructofuranoside
CAS编号:	80971-60-4
化学分子式：	C₁₀H₂₀O₆
化学分子量：	236.26 g/mol
SMILES：	CCCCOC1(C(C(C(O1)CO)O)O)CO
来源：	合成化合物
结构类型：	-
其它名称或标识：	butyl fructofuranoside n-butyl-alpha-D-fructofuranoside n-butyl-beta-D-fructofuranoside

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
科华智慧	5mg	HPLC≥97%	2400	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 36 36 0 1 0 0 0 0 0999 V2000 -1.1988 0.4425 -1.0566 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8224 0.0162 0.0593 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -2.2213 1.1879 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0499 -0.9486 1.6521 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 -2.3904 -1.3903 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 2.8110 -0.7275 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2746 -0.5781 -0.6365 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0784 -1.4462 0.3263 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8836 -0.3999 1.0670 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2406 0.5562 -0.0655 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2386 -1.3488 -1.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3481 2.0010 0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5971 0.8336 -0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 1.4207 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 0.3303 0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 0.9217 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7492 -2.1263 -0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2929 0.0752 1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1744 0.2660 -0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7342 -0.7569 -2.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6072 -1.8169 -2.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 2.3643 0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1303 2.1225 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9894 1.6501 -1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0502 0.2761 -1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8563 -2.6435 1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5638 -1.3925 0.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 2.0186 0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3345 2.0925 -0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8337 -1.9819 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0395 -0.3011 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1036 -0.3198 1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 2.6893 -1.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4565 1.5486 0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5089 1.5340 2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4831 0.1234 1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 8 1 0 0 0 0 3 26 1 0 0 0 0 4 9 1 0 0 0 0 4 27 1 0 0 0 0 5 11 1 0 0 0 0 5 30 1 0 0 0 0 6 12 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R,3S,4S,5R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol

4.2 InChl

InChI=1S/C10H20O6/c1-2-3-4-15-10(6-12)9(14)8(13)7(5-11)16-10/h7-9,11-14H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1

4.3 InChlKey

XRGRZXPJJVQDJO-DOLQZWNJSA-N

4.4 Canonical SMILES

CCCCOC1(C(C(C(O1)CO)O)O)CO

4.5 lsomeric SMILES

CCCCO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO

4.6 SDF文件

补充中

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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)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
百合	Bulb of Greenish Lily	Bulbus Lilii
半边莲	Chinese Lobelia Herb	Herba Lobeliae Chinensis
北沙参	root of Coastal Glehnia	Radix Glehniae
何首乌	Tuber Fleeceflower	Polygonum multiflorum
黄药子	rhizome of Airpotato Yam	Rhizoma Dioscoreae bulbiferae
天葵子	Muskroot-like Semiaquilegia Root	Radix Semiaquilegiae
土贝母	Paniculate Bolbostemma	Rhizoma Bolbostemmae
土茯苓	Glabrous Greenbrier Rhizome	Rhizoma Smilacis Glabrae

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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