CAS号:84-80-0-维生素K1 - Phytonadione-科华智慧

1. 主信息

英文名:	Phytonadione
中文名:	维生素K1
CAS编号:	84-80-0
化学分子式：	C₃₁H₄₆O₂
化学分子量：	450.7 g/mol
SMILES：	CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
来源：	-
结构类型：	-
其它名称或标识：	Aquamephyton Konakion Phyllohydroquinone Phylloquinone Phytomenadione

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≥99%	280	点击购买	2-8℃	现货	-
科华智慧	1g	BR，98%	68	点击购买	2-8℃	现货	-
科华智慧	5g	BR，98%	128	点击购买	2-8℃	现货	-
科华智慧	25g	BR，98%	552	点击购买	2-8℃	现货	-
科华智慧	100g	BR，98%	2160	点击购买	2-8℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 79 80 0 1 0 0 0 0 0999 V2000 0.2340 0.4728 -0.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4491 -0.1505 0.4683 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4542 1.0373 1.5973 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8115 -0.4606 1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8168 -3.8313 1.5000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6006 -1.3815 1.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0063 -2.8552 1.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1937 1.4870 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9806 -3.7067 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7444 2.9433 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5555 3.3608 -1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5061 1.9173 2.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7325 -4.0229 -1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3107 -5.2673 1.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0397 4.7937 -1.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 -3.8182 -2.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9624 5.0766 -3.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6729 5.0348 -1.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -2.3855 -2.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 -2.1035 -2.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -1.3644 -2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6266 -0.7637 -2.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3227 -0.3435 -1.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6343 -0.5189 -1.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4347 0.3305 -0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 0.8216 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3871 0.6546 1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2503 -0.0167 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 -1.2263 -1.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2182 1.4618 1.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9403 1.1276 2.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 1.9318 3.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 1.7651 3.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5223 1.1826 2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5851 -0.6966 0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2463 -0.6751 2.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1403 -3.6032 2.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1523 -1.1937 0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -1.1525 2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7478 -3.0888 0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -3.0091 2.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4314 0.8452 -0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1096 1.3344 -0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1227 -4.3882 0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5506 -2.7004 0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8078 3.0734 0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4788 3.6223 0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 3.2436 -2.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8638 2.6529 -1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7288 1.5455 3.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1601 2.9485 2.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4411 1.9253 1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6334 -3.4075 -1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0641 -5.0673 -1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7611 -5.3786 2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4821 -5.9798 1.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0679 -5.5475 0.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 5.4980 -1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0181 -4.5142 -2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -4.0913 -3.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9419 4.9449 -3.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6398 6.1065 -3.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2534 4.4044 -3.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2962 6.0323 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7294 4.9773 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 4.2993 -1.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6557 -2.9312 -2.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0525 -0.3766 -2.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -1.2404 -1.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0679 -1.6912 -3.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9357 0.0219 -2.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3268 -0.8272 -3.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1117 -1.7751 -2.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -1.9662 -1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2905 -0.5055 -2.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 1.6038 1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9982 1.0095 2.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1409 2.4278 3.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5616 2.1310 4.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 2 0 0 0 0 2 28 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 3 34 1 0 0 0 0 4 6 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 10 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 13 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 15 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 16 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 58 1 0 0 0 0 16 19 1 0 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 17 63 1 0 0 0 0 18 64 1 0 0 0 0 18 65 1 0 0 0 0 18 66 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 67 1 0 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 21 70 1 0 0 0 0 22 23 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 27 28 1 0 0 0 0 27 31 2 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 32 1 0 0 0 0 30 76 1 0 0 0 0 31 33 1 0 0 0 0 31 77 1 0 0 0 0 32 33 2 0 0 0 0 32 78 1 0 0 0 0 33 79 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione

4.2 InChl

InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1

4.3 InChlKey

MBWXNTAXLNYFJB-NKFFZRIASA-N

4.4 Canonical SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C

4.5 lsomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C

4.6 SDF文件

补充中

回顶

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

回顶

6. 相关药材

中文名称	英文名称	拉丁文名称
醋柳果	Seabuckthorn Fruit Equivalent plant: Hippophae rha	Hippophae rhamnoides
落花生	Peanut	Arachis hypogaea
绿豆	mung bean	Semen Phaseoli Radiati
五味子	Chinese Magnoliavine Equivalent plant: Schisandra	Schisandra chinensis
椰子瓤	Coconut Albumen	Cocos nucifera

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称	疾病类型	参考文献
Atherosclerosis	disease	23719555
Blood Pressure	phenotype	23344475
Calcinosis	phenotype	24429407
Cataract	disease	28494067
Coronary Artery Disease	disease	23719555
Skin toxicity	disease	29360920
Uremia	disease	24429407
Vascular calcification	phenotype	23719555
Vascular calcification	phenotype	23344475
Vascular calcification	phenotype	22692665

回顶