CAS号:515-69-5-(+/-)-α-红没药醇

1. 主信息

英文名:	-
中文名:	(+/-)-α-红没药醇
CAS编号:	515-69-5
化学分子式：	-
化学分子量：	- g/mol
SMILES：	-
来源：	合成化合物
结构类型：	-
其它名称或标识：	(+)-4-epi-alpha-bisabolol bisabolol bisabolol, (+)-isomer bisabolol, (-)-isomer levomenol

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
科华智慧	0.1ml	GC≥96%	208	2-8℃	现货	-
科华智慧	5g	80%	144	2-8℃	现货	-
科华智慧	25g	80%	480	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 42 42 0 1 0 0 0 0 0999 V2000 -0.6897 -2.3127 1.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0761 -0.5810 -0.1889 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1730 -1.7468 0.2066 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9883 0.5583 0.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -1.0469 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 -1.2379 0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8518 1.7502 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 -2.8310 -0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2107 1.3588 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5102 0.0883 -0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -0.6364 -0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 2.4695 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3609 -0.2371 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8085 0.9722 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2442 1.3082 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 2.1242 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7628 -0.1834 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0241 0.9442 0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3289 0.2180 1.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8521 -1.6809 0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6338 -1.6435 -1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3239 -0.5638 1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8595 -2.1027 0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 2.3162 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9641 2.4203 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5266 -3.5988 -0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 -3.3632 -0.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0614 -2.4342 -1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 -0.1590 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 0.2021 -1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -1.3798 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4516 -1.7338 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 3.2363 -0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4042 2.9338 0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1648 2.1166 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0912 -1.0395 -0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3558 1.6482 1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8971 0.4404 0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5934 2.1008 -0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8065 1.8932 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1336 2.9356 -0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9097 2.5079 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 17 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 4 7 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol

4.2 InChl

InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1

4.3 InChlKey

RGZSQWQPBWRIAQ-LSDHHAIUSA-N

4.4 Canonical SMILES

CC1=CCC(CC1)C(C)(CCC=C(C)C)O

4.5 lsomeric SMILES

CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O

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)

补充中

5.2 ¹H核磁共振谱(¹H NMR)

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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