CAS号:--- - (1S,3S,4aS,8aS)-1-bromo-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene-科华智慧

1. 主信息

英文名:	(1S,3S,4aS,8aS)-1-bromo-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
中文名:	-
CAS编号:	-
化学分子式：	C₁₅H₂₃BR
化学分子量：	283.25 g/mol
SMILES：	CC(=C)[C@H]1C[C@H]2C(=C)CCC[C@@]2([C@H](C1)Br)C
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 39 40 0 1 0 0 0 0 0999 V2000 -0.1223 -3.6009 -0.1242 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9799 -0.7783 -0.1093 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6437 0.6664 0.4145 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1166 -1.7362 0.4468 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7826 1.1050 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 -1.1809 0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 0.1199 0.5401 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5457 -1.3155 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7558 1.6492 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4824 -0.1589 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0284 -0.8033 -1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1063 1.2478 0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 0.5475 0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 2.7759 -0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4602 0.5844 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1574 0.8781 1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6402 0.6197 1.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0323 -1.7916 1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8345 1.2089 -1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9899 2.0986 0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6964 -2.1495 0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 -1.3056 1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 0.1322 1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6968 -1.4392 -0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -1.9960 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4056 -0.4682 0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7057 -0.1538 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 -0.6373 -2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6929 -0.0342 -2.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4017 -1.7620 -2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0724 1.2821 1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8911 1.9478 0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6561 3.0877 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 3.4226 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3515 -0.4008 -1.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4852 0.9100 -1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8031 1.2925 -1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1474 1.1865 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9677 0.8488 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 17 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 10 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(1S,3S,4aS,8aS)-1-bromo-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene

4.2 InChl

InChI=1S/C15H23Br/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)14(16)9-12/h12-14H,1,3,5-9H2,2,4H3/t12-,13-,14-,15-/m0/s1

4.3 InChlKey

GPOCNIPWJITUKP-AJNGGQMLSA-N

4.4 Canonical SMILES

CC(=C)[C@H]1C[C@H]2C(=C)CCC[C@@]2([C@H](C1)Br)C

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