CAS号:58436-28-5-二氢白藜芦醇 - Dihydroresveratrol-科华智慧

1. 主信息

英文名:	Dihydroresveratrol
中文名:	二氢白藜芦醇
CAS编号:	58436-28-5
化学分子式：	C₁₄H₁₄O₃
化学分子量：	230.26 g/mol
SMILES：	C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	dihydro-resveratrol dihydroresveratrol

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	20mg	HPLC≥98%	640	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 31 32 0 0 0 0 0 0 0999 V2000 4.4133 2.3987 -0.1363 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 -2.3747 -0.1459 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1782 0.0174 0.3408 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2406 -0.0190 0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 -0.0228 -0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7235 -0.0081 0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0888 -0.0121 -0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3995 -1.2110 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3826 1.2048 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7832 -1.2149 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7686 1.2010 -0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7531 1.2151 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -1.2009 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4468 0.0121 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1575 -1.2049 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1428 1.2111 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8374 0.0081 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0173 0.8502 1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 -0.8932 1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 0.8417 -1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 -0.8980 -1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8748 -2.1578 0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8385 2.1402 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2646 -2.1664 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2384 2.1449 -0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5148 0.0272 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6868 -2.1489 0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6668 2.1591 0.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7802 3.1271 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3831 -2.1808 -0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4939 -0.9006 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 29 1 0 0 0 0 2 13 1 0 0 0 0 2 30 1 0 0 0 0 3 17 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 8 22 1 0 0 0 0 9 12 2 0 0 0 0 9 23 1 0 0 0 0 10 15 1 0 0 0 0 10 24 1 0 0 0 0 11 16 2 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol

4.2 InChl

InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2

4.3 InChlKey

HITJFUSPLYBJPE-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 17 18 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.866025 0.5 0 0
M  V30 2 C -1.73205 -1.44329e-15 0 0
M  V30 3 C -2.59808 0.5 0 0
M  V30 4 C -2.59808 1.5 0 0
M  V30 5 C -1.73205 2 0 0
M  V30 6 C -0.866025 1.5 0 0
M  V30 7 C -2.10942e-15 2 0 0
M  V30 8 C 0.866025 1.5 0 0
M  V30 9 C 0.866025 0.5 0 0
M  V30 10 C 1.73205 3.21965e-15 0 0
M  V30 11 C 1.73205 -1 0 0
M  V30 12 C 0.866025 -1.5 0 0
M  V30 13 C 2.05391e-15 -1 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 -1.77636e-15 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 17
M  V30 6 1 4 5
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 7 8
M  V30 10 1 8 9
M  V30 11 1 9 14
M  V30 12 2 9 10
M  V30 13 1 10 11
M  V30 14 2 11 12
M  V30 15 1 11 16
M  V30 16 1 12 13
M  V30 17 2 13 14
M  V30 18 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
巴旦杏仁	Amygdalate Apricot Seed	Prunus amygdalus
白花映山红	Snow Azalea	Rhododendron mucronatum
黄连芽	Chinese Pistache	Pistacia chinensis
黄药子	rhizome of Airpotato Yam	Rhizoma Dioscoreae bulbiferae
卷柏	aal-grass of Tamariskoid spikemoss	Herba Selaginellae
满山红	Dahurian Rhododendron Leaf	Folium Rhododendri Daurici
人参	Ginseng	Radix Ginseng
土茯苓	Glabrous Greenbrier Rhizome	Rhizoma Smilacis Glabrae
仙鹤草根	Japanese Agrimonia Root	Agrimonia pilosa var. japonica
迎山红	Korean Rhododendron	Rhododendron mucronulatum

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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