CAS号:75330-75-5-洛伐他汀 - Lovastatin-科华智慧

1. 主信息

英文名:	Lovastatin
中文名:	洛伐他汀
CAS编号:	75330-75-5
化学分子式：	C₂₄H₃₆O₅
化学分子量：	404.5 g/mol
SMILES：	CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
来源：	-
结构类型：	二萜类
其它名称或标识：	1 alpha-Isomer Lovastatin 6 Methylcompactin 6-Methylcompactin alpha-Isomer Lovastatin, 1 Lovastatin

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%	50	点击购买	2-8℃	现货	-
科华智慧	200mg	HPLC≥98%	720	点击购买	2-8℃	现货	-
科华智慧	5g	98%	56	点击购买	2-8℃	现货	-
科华智慧	25g	98%	160	点击购买	2-8℃	现货	-
科华智慧	100g	98%	576	点击购买	2-8℃	现货	-
科华智慧	500g	98%	2240	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 65 67 0 1 0 0 0 0 0999 V2000 2.0839 -0.8703 0.0288 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6451 0.4837 0.7835 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1942 -2.3787 -0.1945 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6187 -2.4733 1.5993 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1382 0.7137 2.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5235 1.4649 0.4638 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3206 1.3659 -0.5209 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9412 0.1007 1.0606 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0709 2.7668 -1.0756 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8861 0.6396 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7012 2.1800 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2403 0.2199 1.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4117 0.7942 1.0472 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9805 1.8653 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9932 0.4660 -0.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1472 3.5272 -1.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3939 3.2389 -1.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 3.6388 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1826 -0.2777 -0.3533 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1883 -0.2964 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2749 -0.4865 -1.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4955 -1.0899 -0.7224 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4288 -2.1296 0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9694 -0.1937 0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 -3.0439 -0.7650 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8818 0.3313 1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -3.7395 -1.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 -4.0670 -0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1332 -2.7504 -1.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2163 2.0966 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6573 0.7695 -1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 -0.2380 1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 2.6217 -1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5971 -0.3512 0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 1.1785 0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0376 0.9297 2.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5636 -0.6851 2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1073 1.2528 1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 2.4064 -0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3496 1.4393 -1.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6116 -0.0790 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 4.3477 -2.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 3.8248 -1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0533 4.6305 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 3.7875 0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8451 3.2103 0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -1.2464 0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4453 -1.1244 0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6326 -0.6969 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1280 0.1080 -0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -1.1465 -2.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5548 0.4705 -1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 -1.2200 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4767 0.6844 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6812 -0.7428 1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9094 -2.4412 -1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -4.3934 -1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -4.3774 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8840 -2.9314 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6036 -3.5712 -0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8574 -4.6955 -1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3855 -4.7245 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2127 -2.2535 -0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7263 -3.2805 -1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4569 -1.9971 -2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 23 1 0 0 0 0 2 19 1 0 0 0 0 2 26 1 0 0 0 0 3 22 1 0 0 0 0 3 59 1 0 0 0 0 4 23 2 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 9 33 1 0 0 0 0 10 15 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 15 19 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate

4.2 InChl

InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1

4.3 InChlKey

PCZOHLXUXFIOCF-BXMDZJJMSA-N

4.4 Canonical SMILES

CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C

4.5 lsomeric SMILES

CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 31 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 1.73205 -2 0 0
M  V30 2 C 1.73205 -3 0 0
M  V30 3 C 2.59808 -3.5 0 0
M  V30 4 C 2.59808 -4.5 0 0
M  V30 5 C 3.4641 -3 0 0
M  V30 6 O 4.33013 -3.5 0 0
M  V30 7 O 3.4641 -2 0 0
M  V30 8 C 4.33013 -1.5 0 0
M  V30 9 C 5.19615 -2 0 0
M  V30 10 C 6.06218 -1.5 0 0
M  V30 11 C 6.06218 -0.5 0 0
M  V30 12 C 5.19615 -1.16573e-15 0 0
M  V30 13 C 4.33013 -0.5 0 0
M  V30 14 C 3.4641 -7.77156e-16 0 0
M  V30 15 C 3.4641 1 0 0
M  V30 16 C 4.33013 1.5 0 0
M  V30 17 C 5.19615 1 0 0
M  V30 18 C 2.59808 1.5 0 0
M  V30 19 C 2.59808 -0.5 0 0
M  V30 20 C 1.73205 -1.27676e-15 0 0
M  V30 21 C 0.866025 -0.5 0 0
M  V30 22 C 0.866025 -1.5 0 0
M  V30 23 C -1.19947e-15 -2 0 0
M  V30 24 C -0.866025 -1.5 0 0
M  V30 25 C -0.866025 -0.5 0 0
M  V30 26 O -1.73205 8.32667e-16 0 0
M  V30 27 O 0 -0 0 0
M  V30 28 O -1.7992e-15 -3 0 0
M  V30 29 C 6.9282 -2 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 3 5
M  V30 5 2 5 6
M  V30 6 1 5 7
M  V30 7 1 7 8
M  V30 8 1 8 13
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 11
M  V30 12 1 10 29
M  V30 13 2 11 12
M  V30 14 1 12 17
M  V30 15 1 12 13
M  V30 16 1 13 14
M  V30 17 1 14 15
M  V30 18 1 14 19
M  V30 19 1 15 16
M  V30 20 1 15 18
M  V30 21 2 16 17
M  V30 22 1 19 20
M  V30 23 1 20 21
M  V30 24 1 21 27
M  V30 25 1 21 22
M  V30 26 1 22 23
M  V30 27 1 23 24
M  V30 28 1 23 28
M  V30 29 1 24 25
M  V30 30 2 25 26
M  V30 31 1 25 27
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
醋	Vinegar	Vinegar

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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