CAS号:3661-77-6-- - Cycloheptadecanone-科华智慧

1. 主信息

英文名:	Cycloheptadecanone
中文名:	-
CAS编号:	3661-77-6
化学分子式：	C₁₇H₃₂O
化学分子量：	252.4 g/mol
SMILES：	C1CCCCCCCCC(=O)CCCCCCC1
来源：	-
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商

包装规格

含量

价格(元)

环境要求

货期

说明

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 50 50 0 0 0 0 0 0 0999 V2000 2.5402 -1.1517 1.5136 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 1.9457 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2475 0.4410 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9765 2.5797 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8442 -0.3897 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8601 2.4790 0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -1.8861 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3354 3.3851 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4221 -2.6107 0.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 3.0752 -0.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0824 -3.2484 0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7359 1.6978 -0.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0022 -2.2466 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 1.5350 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3647 -2.9273 -0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6546 0.2391 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4594 -1.9448 -0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 -0.9721 0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6418 2.4589 1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0534 2.1366 -0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2451 0.1313 0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5639 0.2467 1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1725 3.6380 -0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6539 2.1273 -1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 -0.2327 -0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -0.0275 -1.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5278 1.4405 0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2564 2.7775 1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9404 -2.3910 -1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2274 -1.9890 -0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0407 3.3445 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 4.4242 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0738 -3.4289 0.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2895 -1.9612 1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8348 3.8453 -0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3735 3.1717 -1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2372 -3.9669 -0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -3.8283 1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1416 1.5700 -1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 0.9094 -0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0471 -1.4435 0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2609 -1.7922 -1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4742 1.5701 1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5692 2.3765 0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2967 -3.7138 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 -3.4187 0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5616 0.2471 0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9805 0.1325 -1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1355 -1.3755 -1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3652 -2.4999 -1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

cycloheptadecanone

4.2 InChl

InChI=1S/C17H32O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-16H2

4.3 InChlKey

KBQDZEMXPBDNGH-UHFFFAOYSA-N

4.4 Canonical SMILES

C1CCCCCCCCC(=O)CCCCCCC1

4.5 lsomeric SMILES

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

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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