CAS号:22910-60-7-银杏酚酸（15:1） - Ginkgolic acid-科华智慧

1. 主信息

英文名:	Ginkgolic acid
中文名:	银杏酚酸（15:1）
CAS编号:	22910-60-7
化学分子式：	C₂₂H₃₄O₃
化学分子量：	346.5 g/mol
SMILES：	CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
来源：	银杏
结构类型：	简单酚类化合物
其它名称或标识：	(Z)-2-Hydroxy-6-(8-pentadecenyl)benzoic acid ginkgolic acid

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%	480	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 0 0 0 0 0 0999 V2000 -6.5578 1.6012 -1.3814 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 2.7640 0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9076 1.8407 -0.5867 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -1.4516 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -1.0023 1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9947 -1.4761 0.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8592 -1.0645 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1251 -1.9972 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0271 -0.6583 1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 -2.0007 0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1353 0.4324 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0686 1.9551 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1876 -0.3790 -1.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3633 -0.6444 0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6938 2.5945 -0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5721 -2.5817 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -1.8619 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1676 2.4306 1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8364 0.5056 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1297 -1.8098 0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8059 3.0870 1.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 0.4899 -0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3693 -1.8255 -0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8423 -0.6757 -0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0399 1.7278 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6801 -0.7843 -0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 -2.4557 -0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3128 0.0212 1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5279 -1.6445 1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2413 -0.4628 1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9304 -2.1054 1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 -2.0870 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 -0.4306 -0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8806 -3.0166 -0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -1.3826 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8279 0.3161 1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0783 -1.3557 2.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7372 -0.9904 0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4202 -2.6049 1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9539 0.1832 0.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1674 0.1177 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 2.2023 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7918 2.4171 0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3975 -0.1482 -2.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 -0.0643 -1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7776 3.6655 -0.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9715 2.1888 -1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7367 -3.6541 -0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1032 -2.3659 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 1.3705 1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 2.8753 1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7725 -2.7138 0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8576 4.1593 1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4488 2.9622 2.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 2.6366 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9656 -2.7332 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8096 -0.7028 -1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4278 1.3981 -1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1468 3.5822 0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 58 1 0 0 0 0 2 25 1 0 0 0 0 2 59 1 0 0 0 0 3 25 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 14 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 16 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 15 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 17 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 18 21 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 22 1 0 0 0 0 19 25 1 0 0 0 0 20 23 2 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-hydroxy-6-[(Z)-pentadec-8-enyl]benzoic acid

4.2 InChl

InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-

4.3 InChlKey

YXHVCZZLWZYHSA-FPLPWBNLSA-N

4.4 Canonical SMILES

CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O

4.5 lsomeric SMILES

CCCCCC/C=C\CCCCCCCC1=C(C(=CC=C1)O)C(=O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 12.9904 -1.5 0 0
M  V30 2 C 12.9904 -0.5 0 0
M  V30 3 C 12.1244 -2.86993e-14 0 0
M  V30 4 C 11.2583 -0.5 0 0
M  V30 5 C 10.3923 -2.43139e-14 0 0
M  V30 6 C 9.52628 -0.5 0 0
M  V30 7 C 8.66025 -1.98175e-14 0 0
M  V30 8 C 7.79423 -0.5 0 0
M  V30 9 C 6.9282 -1.53211e-14 0 0
M  V30 10 C 6.06218 -0.5 0 0
M  V30 11 C 5.19615 -1.08247e-14 0 0
M  V30 12 C 4.33013 -0.5 0 0
M  V30 13 C 3.4641 -7.10543e-15 0 0
M  V30 14 C 2.59808 -0.5 0 0
M  V30 15 C 1.73205 -3.16414e-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 2.29802e-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 3.44703e-15 -3 0 0
M  V30 23 C 1.73205 -2 0 0
M  V30 24 O 1.73205 -3 0 0
M  V30 25 O 2.59808 -1.5 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 2 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 21
M  V30 17 2 16 17
M  V30 18 1 17 18
M  V30 19 1 17 23
M  V30 20 2 18 19
M  V30 21 1 18 22
M  V30 22 1 19 20
M  V30 23 2 20 21
M  V30 24 2 23 24
M  V30 25 1 23 25
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
白果	Ginkgo seed	Semen Ginkgo
银杏叶	Ginkgo Folium	-
知母	rhizome of Common Amarrhe	Rhizoma Anemarrhee

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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