CAS号:68-26-8-维生素A - Retinol-科华智慧

1. 主信息

英文名:	Retinol
中文名:	维生素A
CAS编号:	68-26-8
化学分子式：	C₂₀H₃₀O
化学分子量：	286.5 g/mol
SMILES：	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C
来源：	-
结构类型：	-
其它名称或标识：	11-cis-Retinol 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, (all-E)-Isomer All Trans Retinol All-Trans-Retinol Aquasol A

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≥96%	288	点击购买	-20℃，充氮保存	现货	-
科华智慧	1g	BR，89%，油状	320	点击购买	-20℃，充氮保存	现货	-
科华智慧	5g	BR，89%，油状	1200	点击购买	-20℃，充氮保存	现货	-
科华智慧	25mg	BR，95%	312	点击购买	-20℃，充氮保存	现货	-
科华智慧	100mg	BR，95%	520	点击购买	-20℃，充氮保存	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 51 51 0 0 0 0 0 0 0999 V2000 8.2309 1.0896 1.4385 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5065 -0.7529 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8652 -0.0058 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7242 1.4800 0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3782 0.0258 -0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7844 2.1131 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5265 1.3155 -0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7424 -2.1475 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1392 -0.9426 2.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1389 -0.7068 -0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 2.1331 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9258 -0.1585 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3701 -0.8224 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3489 -2.2702 -0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4922 -0.1038 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8689 -0.5477 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9131 0.2624 -0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3345 -0.0870 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6815 -1.4939 -0.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2495 0.8629 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7425 0.7566 0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5908 -0.4394 1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2944 -0.1331 -0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3496 1.6479 1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7048 1.9667 0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5152 3.1128 0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3197 2.2521 -1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8695 -2.0780 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9195 -2.8411 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6470 -2.6130 0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9535 -1.4288 2.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2497 -1.5728 2.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9269 0.0123 2.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2283 -1.7305 -0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 2.7968 -2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8205 1.5315 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9299 2.7639 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8539 0.8581 0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3408 -2.7136 -0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1849 -2.8781 -0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1482 -2.3789 -1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3867 0.9392 0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0428 -1.5740 -0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 1.2896 0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2698 -2.2157 0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7554 -1.6833 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2783 -1.7140 -1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8939 1.8551 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1527 1.4805 -0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -0.2276 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9099 0.4112 2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 2 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol

4.2 InChl

InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

4.3 InChlKey

FPIPGXGPPPQFEQ-OVSJKPMPSA-N

4.4 Canonical SMILES

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C

4.5 lsomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C

4.6 SDF文件

补充中

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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
车前草	all-grass of Rippleseed plantain	Herba Plantaginis
茺蔚子	Motherwort Fruit	Fructus Leonuri
川射干	Iridis Tectori Rhizoma	-
川芎	Chuanxiong rhizome, Szechuan lovage root	Radix chuanxiong；Rhizoma Chuanxiong
醋柳果	Seabuckthorn Fruit Equivalent plant: Hippophae rha	Hippophae rhamnoides
单叶蔓荆子	Simpleleaf Shrub Chastetree Fruit	Vitex rotundifolia [Syn. Vitex trifollia var. simp
当归	root of Chinese Angelica	Radix Angelicae sinensis
干鹿肉	Dried Venison	Caro Verci
干漆	Dried Lacquer	Resina Toxicodendri
鸡冠子	Common Cockscomb Seed	Celosia cristada

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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