CAS号:63026-02-8-大花红天素 - Crenulatin-科华智慧

1. 主信息

英文名:	Crenulatin
中文名:	大花红天素
CAS编号:	63026-02-8
化学分子式：	C₁₁H₂₀O₆
化学分子量：	248.27 g/mol
SMILES：	CC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O
来源：	大花红景天
结构类型：	其他化合物
其它名称或标识：	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methylbut-3-en-2-yloxy)oxane-3,4,5-triol 1-isopentenyl-3-O-beta-D-glucopyranoside 2-methyl-3-buten-2-ol beta-d-glucopyranoside beta-D-glucopyranoside, 1,1-dimethyl-2-propen-1-yl crenulatin glucoside

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	5mg	HPLC≥98.5%	2000	点击购买	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 37 37 0 1 0 0 0 0 0999 V2000 0.0286 0.7202 -0.2502 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 -0.9100 -0.6729 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0498 -2.0597 -0.3579 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 0.5308 0.8347 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2647 -2.9100 0.0903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7041 2.6982 -1.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0306 -1.2744 0.2625 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3766 0.2000 0.0533 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6757 -1.6181 -0.3564 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2064 1.0962 0.4656 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3952 -0.6069 0.0529 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4833 2.5641 0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 -0.0096 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1997 1.3884 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8859 -0.4435 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8797 -0.1553 1.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7619 0.7896 2.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0453 -1.5344 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6445 0.3446 -0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 -1.6718 -1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 1.0141 1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5577 -0.7149 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 2.9524 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6111 3.1759 0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8976 -1.8089 0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 0.3949 1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1904 -2.8853 1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6593 1.3662 -1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0993 1.9921 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6559 1.9982 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7479 0.1917 -0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1512 -1.4825 -0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7078 -0.4068 -2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1723 -1.1494 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 2.4722 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9628 0.5412 3.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4821 1.8131 1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 25 1 0 0 0 0 4 8 1 0 0 0 0 4 26 1 0 0 0 0 5 9 1 0 0 0 0 5 27 1 0 0 0 0 6 12 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 36 1 0 0 0 0 17 37 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,6S)-2-(hydroxymethyl)-6-(2-methylbut-3-en-2-yloxy)oxane-3,4,5-triol

4.2 InChl

InChI=1S/C11H20O6/c1-4-11(2,3)17-10-9(15)8(14)7(13)6(5-12)16-10/h4,6-10,12-15H,1,5H2,2-3H3/t6-,7-,8+,9-,10+/m1/s1

4.3 InChlKey

ZEGGZNOPAPRAIG-SPFKKGSWSA-N

4.4 Canonical SMILES

CC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O

4.5 lsomeric SMILES

CC(C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

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

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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