CAS号:11032-49-8-维生素K2 - Menatetrenone-科华智慧

1. 主信息

英文名:	Menatetrenone
中文名:	维生素K2
CAS编号:	11032-49-8
化学分子式：	C₃₁H₄₀O₂
化学分子量：	444.6 g/mol
SMILES：	CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
来源：	-
结构类型：	-
其它名称或标识：	(E,E,E)-isomer of menatetrenone 2-methyl-3-all-trans-tetraprenyl-1,4-naphthoquinone 2-methyl-3-trans-tetraprenyl-1,4-naphthoquinone Kefton-2 menaquinone 4

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	10mg	HPLC≥98%	128	点击购买	-20℃	现货	-
科华智慧	100mg	HPLC≥98%	576	点击购买	-20℃	现货	-
科华智慧	1g	HPLC≥98%	1792	点击购买	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 73 74 0 0 0 0 0 0 0999 V2000 -3.2127 0.9693 1.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 3.0737 -1.3658 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0424 -2.1159 -1.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0856 -3.1041 -0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5471 1.8375 -0.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 -1.9697 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 1.6110 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9882 -0.7328 -0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7827 -2.3688 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 -2.9846 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5518 2.3495 -1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6574 -2.6508 -1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1529 0.1976 -1.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9847 1.6793 1.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3182 1.4590 0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 2.2230 0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 -2.4137 0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0986 -2.6370 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5329 -2.0898 0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1948 2.5851 -0.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8919 -0.5279 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7437 -0.5866 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2075 -2.4979 1.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 2.7153 -2.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 1.3381 2.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3043 2.4283 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 -2.5008 2.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1447 -0.2915 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 1.5433 3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 2.0880 2.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5287 0.2453 -1.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9517 0.5168 -1.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5072 0.6116 -2.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -2.0552 -2.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0676 -2.5031 -1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1765 -4.0762 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 -3.2726 0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1672 -0.9949 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -1.8164 -1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1919 2.2764 -1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6553 1.9129 -0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5315 -3.1231 1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4675 -3.9643 -0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2973 -2.5720 -2.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5551 -0.0790 -2.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 -2.5744 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 -2.4947 1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7448 -2.6101 -0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6428 -1.2410 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8348 0.4710 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 -0.6927 -0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9834 -0.1788 -0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5927 -0.0708 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0403 -3.5185 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2527 -2.2246 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -1.8186 2.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 2.2838 -3.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6399 3.8035 -2.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5815 2.3475 -3.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5308 0.9104 3.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1213 2.8499 0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0769 -3.5236 2.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6094 -1.8445 2.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9117 -2.1710 2.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9234 -0.5417 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6944 1.2769 4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5193 2.2462 3.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0872 1.5792 -2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6514 0.2539 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -0.0689 -2.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 -0.0142 -2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 0.4809 -3.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2162 1.6613 -2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 20 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 12 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 13 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 13 2 0 0 0 0 8 21 1 0 0 0 0 9 12 2 0 0 0 0 9 23 1 0 0 0 0 10 18 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 20 1 0 0 0 0 11 24 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 2 0 0 0 0 16 20 1 0 0 0 0 16 26 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 46 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 28 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 29 1 0 0 0 0 25 60 1 0 0 0 0 26 30 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 31 2 0 0 0 0 28 65 1 0 0 0 0 29 30 2 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione

4.2 InChl

InChI=1S/C31H40O2/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/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+

4.3 InChlKey

DKHGMERMDICWDU-GHDNBGIDSA-N

4.4 Canonical SMILES

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

4.5 lsomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 33 34 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.73205 -1.88738e-15 0 0
M  V30 2 C 0.866025 -0.5 0 0
M  V30 3 C 0.866025 -1.5 0 0
M  V30 4 C -1.22125e-15 -2 0 0
M  V30 5 O -2.22045e-15 -3 0 0
M  V30 6 C -0.866025 -1.5 0 0
M  V30 7 C -1.73205 -2 0 0
M  V30 8 C -2.59808 -1.5 0 0
M  V30 9 C -2.59808 -0.5 0 0
M  V30 10 C -1.73205 1.77636e-15 0 0
M  V30 11 C -0.866025 -0.5 0 0
M  V30 12 C 0 -0 0 0
M  V30 13 O -4.996e-16 1 0 0
M  V30 14 C 1.73205 -2 0 0
M  V30 15 C 1.73205 -3 0 0
M  V30 16 C 2.59808 -3.5 0 0
M  V30 17 C 2.59808 -4.5 0 0
M  V30 18 C 3.4641 -3 0 0
M  V30 19 C 4.33013 -3.5 0 0
M  V30 20 C 4.33013 -4.5 0 0
M  V30 21 C 5.19615 -5 0 0
M  V30 22 C 5.19615 -6 0 0
M  V30 23 C 6.06218 -4.5 0 0
M  V30 24 C 6.9282 -5 0 0
M  V30 25 C 6.9282 -6 0 0
M  V30 26 C 7.79423 -6.5 0 0
M  V30 27 C 7.79423 -7.5 0 0
M  V30 28 C 8.66025 -6 0 0
M  V30 29 C 9.52628 -6.5 0 0
M  V30 30 C 9.52628 -7.5 0 0
M  V30 31 C 10.3923 -8 0 0
M  V30 32 C 10.3923 -9 0 0
M  V30 33 C 11.2583 -7.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 12
M  V30 3 2 2 3
M  V30 4 1 3 4
M  V30 5 1 3 14
M  V30 6 2 4 5
M  V30 7 1 4 6
M  V30 8 1 6 11
M  V30 9 2 6 7
M  V30 10 1 7 8
M  V30 11 2 8 9
M  V30 12 1 9 10
M  V30 13 2 10 11
M  V30 14 1 11 12
M  V30 15 2 12 13
M  V30 16 1 14 15
M  V30 17 2 15 16
M  V30 18 1 16 17
M  V30 19 1 16 18
M  V30 20 1 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 22
M  V30 24 1 21 23
M  V30 25 1 23 24
M  V30 26 1 24 25
M  V30 27 2 25 26
M  V30 28 1 26 27
M  V30 29 1 26 28
M  V30 30 1 28 29
M  V30 31 1 29 30
M  V30 32 2 30 31
M  V30 33 1 31 32
M  V30 34 1 31 33
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

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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