CAS号:53760-19-3-细胞松弛素H - Cytochalasin H-科华智慧

1. 主信息

英文名:	Cytochalasin H
中文名:	细胞松弛素H
CAS编号:	53760-19-3
化学分子式：	C₃₀H₃₉NO₅
化学分子量：	493.6 g/mol
SMILES：	CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O
来源：	微生物
结构类型：	-
其它名称或标识：	cytochalasin H

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	1mg	HPLC≥98%	1500	点击购买	2-8℃	现货	-
科华智慧	5mg	HPLC≥98%	2700	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 75 78 0 1 0 0 0 0 0999 V2000 0.9715 -0.5188 1.9683 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9141 4.2247 0.0627 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0236 0.2210 -2.3713 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0338 -2.6488 0.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3984 -2.7743 2.2271 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0437 0.1502 -1.2530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1128 0.5728 0.0658 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4288 0.8931 0.9082 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8553 1.8127 0.0672 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5946 0.3427 0.0578 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5767 2.3968 1.2805 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5220 -0.7522 0.6295 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1562 3.1135 -0.4285 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6749 0.3070 -1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2664 3.2462 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1814 -0.9536 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 2.7021 2.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1457 1.6496 -0.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 -1.3605 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 4.0291 -0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5075 -1.2758 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 1.6217 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 -1.5494 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0329 -2.1101 -0.6262 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6515 1.5018 -0.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 0.1505 -0.6961 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6996 -1.0088 -1.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3816 -1.6262 2.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6763 -0.8004 0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5436 -2.0433 -1.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -3.2663 -1.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8336 0.2944 -1.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -1.2323 4.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9051 -1.0987 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7726 -2.3414 -1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9534 -1.8690 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3971 0.3605 1.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 1.9743 1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3904 1.0829 -0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 2.6230 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2674 -1.5138 0.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1722 3.1647 -1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6179 -0.0296 -2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3323 -0.8707 1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -1.7989 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7776 2.5777 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0019 2.0443 2.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8906 3.7345 2.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0721 1.5781 -1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3659 -1.6987 -1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8483 4.5965 -1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 4.1276 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8736 4.2153 1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4488 1.7005 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 -1.1628 1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4913 1.6740 -1.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2973 2.3209 -0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3868 -0.0763 0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9657 -0.6080 -2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4685 -1.4987 -2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6498 -0.1969 1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 -2.4190 -1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0716 -4.0447 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9114 -2.9329 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4476 -3.7512 -2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3839 -0.6373 -0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9034 0.5452 -2.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3379 1.0831 -0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 -0.7860 4.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6575 -0.5307 3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 -2.1216 4.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6234 -3.3541 0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8244 -0.7303 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8103 -2.9418 -2.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9102 -2.1010 -1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 28 1 0 0 0 0 2 13 1 0 0 0 0 2 53 1 0 0 0 0 3 14 2 0 0 0 0 4 24 1 0 0 0 0 4 72 1 0 0 0 0 5 28 2 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 37 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 38 1 0 0 0 0 10 16 1 0 0 0 0 10 39 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 40 1 0 0 0 0 12 19 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 15 20 2 0 0 0 0 16 21 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 22 2 0 0 0 0 18 49 1 0 0 0 0 19 23 2 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 29 2 0 0 0 0 21 30 1 0 0 0 0 22 25 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 24 27 1 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 32 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 29 61 1 0 0 0 0 30 35 2 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 36 2 0 0 0 0 34 73 1 0 0 0 0 35 36 1 0 0 0 0 35 74 1 0 0 0 0 36 75 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate

4.2 InChl

InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23-,24-,25+,26-,27+,29-,30+/m0/s1

4.3 InChlKey

NAEWXXDGBKTIMN-OWTACEMYSA-N

4.4 Canonical SMILES

CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O

4.5 lsomeric SMILES

C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@](C1)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 36 39 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -7.0905 -0.835714 0 0
M  V30 2 C -6.14753 -0.587851 0 0
M  V30 3 C -5.64405 -1.42279 0 0
M  V30 4 C -4.76908 -1.85298 0 0
M  V30 5 C -3.80044 -1.74184 0 0
M  V30 6 C -3.04565 -1.12465 0 0
M  V30 7 C -2.39325 -1.84922 0 0
M  V30 8 C -1.43955 -1.64651 0 0
M  V30 9 C -0.787152 -2.37107 0 0
M  V30 10 C -1.13826 -0.719225 0 0
M  V30 11 C -1.79066 0.00534115 0 0
M  V30 12 C -2.74436 -0.197373 0 0
M  V30 13 C -2.99222 0.745595 0 0
M  V30 14 C -3.71054 1.40487 0 0
M  V30 15 C -4.67126 1.57113 0 0
M  V30 16 C -5.56936 1.19159 0 0
M  V30 17 C -6.11969 0.386752 0 0
M  V30 18 C -5.72647 2.15385 0 0
M  V30 19 O -6.48125 1.53666 0 0
M  V30 20 O -1.32234 1.75257 0 0
M  V30 21 C -1.3409 2.72739 0 0
M  V30 22 O -0.505963 3.23088 0 0
M  V30 23 C -2.19441 3.19873 0 0
M  V30 24 C -3.23186 0.647002 0 0
M  V30 25 O -4.20152 0.748917 0 0
M  V30 26 N -2.57946 1.37157 0 0
M  V30 27 C -1.68875 0.975 0 0
M  V30 28 C -0.844375 1.4625 0 0
M  V30 29 C 6.4948e-16 0.975 0 0
M  V30 30 C 0.844375 1.4625 0 0
M  V30 31 C 1.68875 0.975 0 0
M  V30 32 C 1.68875 -0 0 0
M  V30 33 C 0.844375 -0.4875 0 0
M  V30 34 C -0 -0 0 0
M  V30 35 C -0.184569 -0.516511 0 0
M  V30 36 O -2.69454 -2.7765 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 17
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 2 4 5
M  V30 6 1 5 6
M  V30 7 1 6 12
M  V30 8 1 6 7
M  V30 9 1 7 8
M  V30 10 1 7 36
M  V30 11 2 8 9
M  V30 12 1 8 10
M  V30 13 1 10 11
M  V30 14 1 10 35
M  V30 15 1 11 27
M  V30 16 1 11 12
M  V30 17 1 12 13
M  V30 18 1 12 24
M  V30 19 1 13 14
M  V30 20 1 13 20
M  V30 21 2 14 15
M  V30 22 1 15 16
M  V30 23 1 16 17
M  V30 24 1 16 18
M  V30 25 1 16 19
M  V30 26 1 20 21
M  V30 27 2 21 22
M  V30 28 1 21 23
M  V30 29 2 24 25
M  V30 30 1 24 26
M  V30 31 1 26 27
M  V30 32 1 27 28
M  V30 33 1 28 29
M  V30 34 1 29 34
M  V30 35 2 29 30
M  V30 36 1 30 31
M  V30 37 2 31 32
M  V30 38 1 32 33
M  V30 39 2 33 34
M  V30 END BOND
M  V30 END CTAB
M  END

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

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