CAS号:29700-22-9-氧化白藜芦醇 - Oxyresveratrol-科华智慧

1. 主信息

英文名:	Oxyresveratrol
中文名:	氧化白藜芦醇
CAS编号:	29700-22-9
化学分子式：	C₁₄H₁₂O₄
化学分子量：	244.24 g/mol
SMILES：	C1=CC(=C(C=C1O)O)C=CC2=CC(=CC(=C2)O)O
来源：	桑
结构类型：	二苯乙烯类
其它名称或标识：	2,4,3',5'-tetrahydroxystilbene oxyresveratrol puag-haad

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%	96	点击购买	2-8℃	现货	-
科华智慧	100mg	98%	240	点击购买	2-8℃	现货	-
科华智慧	500mg	98%	960	点击购买	2-8℃	现货	-
科华智慧	1g	98%	1600	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 -2.1249 -1.1340 1.9747 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9126 -2.1101 -0.6497 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 2.4115 0.7261 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 -0.1158 -0.4799 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9775 0.2849 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8559 -0.1695 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 0.4415 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3998 -0.3402 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7203 -0.4935 0.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3567 1.0535 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6958 -1.2347 -0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6119 0.9289 -1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0744 -1.0726 -0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7353 1.2156 0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0976 -0.6281 0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9892 0.7942 -1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7321 0.0157 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5941 0.1526 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2677 1.2585 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -1.1650 -1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7222 1.9102 0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2928 -2.1912 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0482 1.5402 -1.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6714 -1.2363 1.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4779 1.2982 -2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6695 0.2722 0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1742 -0.9415 2.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 -2.8790 -0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2123 2.3451 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4289 -0.6879 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 27 1 0 0 0 0 2 13 1 0 0 0 0 2 28 1 0 0 0 0 3 14 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 9 2 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 6 11 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 15 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 18 1 0 0 0 0 14 18 2 0 0 0 0 15 17 2 0 0 0 0 15 24 1 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-1,3-diol

4.2 InChl

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

4.3 InChlKey

PDHAOJSHSJQANO-OWOJBTEDSA-N

4.4 Canonical SMILES

C1=CC(=C(C=C1O)O)C=CC2=CC(=CC(=C2)O)O

4.5 lsomeric SMILES

C1=CC(=C(C=C1O)O)/C=C/C2=CC(=CC(=C2)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 -3.4641 3 0 0
M  V30 2 C -2.59808 2.5 0 0
M  V30 3 C -2.59808 1.5 0 0
M  V30 4 C -3.4641 1 0 0
M  V30 5 C -4.33013 1.5 0 0
M  V30 6 C -4.33013 2.5 0 0
M  V30 7 O -5.19615 3 0 0
M  V30 8 O -3.4641 7.21645e-16 0 0
M  V30 9 C -1.73205 1 0 0
M  V30 10 C -0.866025 1.5 0 0
M  V30 11 C -8.03453e-16 1 0 0
M  V30 12 C 0.866025 1.5 0 0
M  V30 13 C 1.73205 1 0 0
M  V30 14 C 1.73205 1.52656e-15 0 0
M  V30 15 C 0.866025 -0.5 0 0
M  V30 16 C 0 -0 0 0
M  V30 17 O 0.866025 -1.5 0 0
M  V30 18 O 2.59808 1.5 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 9
M  V30 6 1 4 5
M  V30 7 1 4 8
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 2 9 10
M  V30 11 1 10 11
M  V30 12 1 11 16
M  V30 13 2 11 12
M  V30 14 1 12 13
M  V30 15 2 13 14
M  V30 16 1 13 18
M  V30 17 1 14 15
M  V30 18 2 15 16
M  V30 19 1 15 17
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
菝葜	Smilax Chi	-
穿破石	root of Tricuspid cudrania	Radix Cudraniae
莲房	Lotus Receptacle	Receptaculum Nelumbinis
毛叶藜芦	Largeflower Falsehellebore	Veratrum grandiflorum
木棉花	Flower of Common Bombax	Flos Gossampini
木通	Akebia, Clematis stem	Caulis Aristolochiae seu Clematis
南瓜	Cushaw	Cucurbita moschata
南瓜子	Pumpkin seed and husks	Semen Cucurbitae moschatae
脑石	-	-
桑白皮	Cortex Mori	-

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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