CAS号:23513-15-7-10-姜酚 - (10)-Gingerol-科华智慧

1. 主信息

英文名:	(10)-Gingerol
中文名:	10-姜酚
CAS编号:	23513-15-7
化学分子式：	C₂₁H₃₄O₄
化学分子量：	350.5 g/mol
SMILES：	CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
来源：	姜生姜
结构类型：	-
其它名称或标识：	(6)-gingerol 10-gingerol 6-gingerol gingerol

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%	760	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 59 59 0 1 0 0 0 0 0999 V2000 -3.1003 -3.5729 -0.6254 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9399 -0.6560 -0.4114 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 1.6434 2.7972 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6856 2.7198 1.7035 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5737 -3.4310 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -2.6518 0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6289 -2.7139 1.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 -3.4327 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0809 -1.3445 1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0781 -2.6548 -0.2395 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6498 -1.3280 -0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9316 -1.5862 -1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0085 0.0769 -0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0219 -0.5343 -1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6506 0.0835 -2.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9547 0.6256 -2.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 1.9944 -1.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9873 1.4783 -2.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6858 2.1868 -0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7185 1.8242 0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 2.7269 -1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 2.0016 1.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6076 2.9045 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 2.5418 0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8589 1.0987 3.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 -4.4027 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9762 -3.6502 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1424 -2.4500 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4566 -1.6838 0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2459 -2.5919 2.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 -3.3656 1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 -3.7001 -1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9804 -4.3851 0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -0.6409 1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8448 -0.9569 1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3789 -2.2233 0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9219 -1.7556 -0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5399 -1.9678 -0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9806 -1.0534 -1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9934 -2.0313 -2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6973 0.5445 0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1022 0.6943 -0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 -0.3963 -2.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5677 -0.5172 -2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0742 0.4958 -2.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8338 0.5545 -2.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8093 2.1388 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9411 2.7806 -2.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8195 -4.0054 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6942 1.9758 -1.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0861 2.0958 -2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4410 1.4241 -3.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6507 1.4159 1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4844 3.0106 -2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5078 3.3245 -0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 3.0938 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7137 0.8684 4.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 0.1547 2.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6748 1.8272 3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 49 1 0 0 0 0 2 14 2 0 0 0 0 3 22 1 0 0 0 0 3 25 1 0 0 0 0 4 24 1 0 0 0 0 4 56 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 21 23 2 0 0 0 0 21 54 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one

4.2 InChl

InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1

4.3 InChlKey

AIULWNKTYPZYAN-SFHVURJKSA-N

4.4 Canonical SMILES

CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O

4.5 lsomeric SMILES

CCCCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 25 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 6.06218 8.5 0 0
M  V30 2 C 5.19615 9 0 0
M  V30 3 C 4.33013 8.5 0 0
M  V30 4 C 4.33013 7.5 0 0
M  V30 5 C 3.4641 7 0 0
M  V30 6 C 3.4641 6 0 0
M  V30 7 C 2.59808 5.5 0 0
M  V30 8 C 2.59808 4.5 0 0
M  V30 9 C 1.73205 4 0 0
M  V30 10 C 1.73205 3 0 0
M  V30 11 C 0.866025 2.5 0 0
M  V30 12 C 0.866025 1.5 0 0
M  V30 13 O 8.9373e-15 1 0 0
M  V30 14 C 1.73205 1 0 0
M  V30 15 C 1.73205 -2.9976e-15 0 0
M  V30 16 C 0.866025 -0.5 0 0
M  V30 17 C 0.866025 -1.5 0 0
M  V30 18 C -2.33147e-15 -2 0 0
M  V30 19 C -0.866025 -1.5 0 0
M  V30 20 C -0.866025 -0.5 0 0
M  V30 21 C -0 -0 0 0
M  V30 22 O -1.73205 -2 0 0
M  V30 23 O -2.88658e-15 -3 0 0
M  V30 24 C -0.866025 -3.5 0 0
M  V30 25 O 2.59808 2.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 10 25
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 12 14
M  V30 15 1 14 15
M  V30 16 1 15 16
M  V30 17 1 16 21
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 18 23
M  V30 22 1 19 20
M  V30 23 1 19 22
M  V30 24 2 20 21
M  V30 25 1 23 24
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
豆蔻	Round Cardamon Fruit	Fructus Amomi Rotundus
干姜	Dried Ginger	Rhizoma Zingiberis
生姜	Fresh Ginger	Rhizoma Zingiberis Recens

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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