CAS号:10083-24-6-白皮杉醇 - Piceatannol-科华智慧

1. 主信息

英文名:	Piceatannol
中文名:	白皮杉醇
CAS编号:	10083-24-6
化学分子式：	C₁₄H₁₂O₄
化学分子量：	244.24 g/mol
SMILES：	C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O
来源：	菝葜尼泊尔酸模荆三棱光叶马鞍树五叶地锦
结构类型：	二苯乙烯类
其它名称或标识：	3'-hydroxyresveratol 3,3',4',5-tetrahydroxystilbene 3,3',4,5'-tetrahydroxy stilbene 3,3',4,5'-tetrahydroxystilbene 3,5,3',4'-tetrahydroxy-stilbene

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	20mg	HPLC≥98%	144	点击购买	2-8℃	现货	-
科华智慧	1g	≥98%	224	点击购买	2-8℃	现货	-
科华智慧	5g	≥98%	800	点击购买	2-8℃	现货	-
科华智慧	25g	≥98%	2560	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 30 31 0 0 0 0 0 0 0999 V2000 -4.9869 1.6420 0.8824 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1716 -2.0059 0.6387 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2974 2.5298 -0.5648 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8851 -0.7432 -0.2262 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -0.2780 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8187 0.0770 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 -0.5670 -0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3933 0.3597 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7348 1.0023 0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 1.0027 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9211 -1.2929 0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2698 -1.1202 -0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1019 0.7304 0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 -1.0194 0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 1.2763 -0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6365 -1.3922 -0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5526 -0.4668 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7509 0.2652 0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3516 -1.6235 -0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1509 1.4095 0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3959 1.9391 0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8082 1.8103 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5635 -2.2949 0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5971 -1.8608 -1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9751 -2.3263 -1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8179 0.4716 0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8863 1.2908 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6797 -2.8281 0.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2673 2.5392 -0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0092 -1.6137 -0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 27 1 0 0 0 0 2 14 1 0 0 0 0 2 28 1 0 0 0 0 3 15 1 0 0 0 0 3 29 1 0 0 0 0 4 17 1 0 0 0 0 4 30 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 10 15 1 0 0 0 0 10 22 1 0 0 0 0 11 14 2 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 15 18 2 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 18 26 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol

4.2 InChl

InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+

4.3 InChlKey

CDRPUGZCRXZLFL-OWOJBTEDSA-N

4.4 Canonical SMILES

C1=CC(=C(C=C1C=CC2=CC(=CC(=C2)O)O)O)O

4.5 lsomeric SMILES

C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.866025 -0.5 0 0
M  V30 2 C -0.866025 -1.5 0 0
M  V30 3 C -1.73205 -2 0 0
M  V30 4 C -2.59808 -1.5 0 0
M  V30 5 C -2.59808 -0.5 0 0
M  V30 6 C -1.73205 2.77556e-15 0 0
M  V30 7 C -1.73205 1 0 0
M  V30 8 C -0.866025 1.5 0 0
M  V30 9 C 3.33067e-16 1 0 0
M  V30 10 C 0.866025 1.5 0 0
M  V30 11 C 1.73205 1 0 0
M  V30 12 C 1.73205 -9.99201e-16 0 0
M  V30 13 C 0.866025 -0.5 0 0
M  V30 14 C 0 -0 0 0
M  V30 15 O 0.866025 -1.5 0 0
M  V30 16 O 2.59808 1.5 0 0
M  V30 17 O -3.4641 -2 0 0
M  V30 18 O -1.73205 -3 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 3 18
M  V30 6 1 4 5
M  V30 7 1 4 17
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 2 7 8
M  V30 11 1 8 9
M  V30 12 1 9 14
M  V30 13 2 9 10
M  V30 14 1 10 11
M  V30 15 2 11 12
M  V30 16 1 11 16
M  V30 17 1 12 13
M  V30 18 2 13 14
M  V30 19 1 13 15
M  V30 END BOND
M  V30 END CTAB
M  END

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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
大黄	root and rhziome of Sorrel Rhubarb	Radix et Rhizoma Rhei
桃金娘	Rosemyrtle	Rhodomyrtus tomentosa
藏边打黄	Austral Rhubarb	Rheum emodi [Syn. Rheum australe]

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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