CAS号:4176-06-1-芳-姜黄烯 - Ar-Curcumene-科华智慧

1. 主信息

英文名:	Ar-Curcumene
中文名:	芳-姜黄烯
CAS编号:	4176-06-1
化学分子式：	C₁₅H₂₂
化学分子量：	202.33 g/mol
SMILES：	CC1=CC=C(C=C1)C(C)CCC=C(C)C
来源：	合成化合物
结构类型：	-
其它名称或标识：	(R)-isomer of alpha-curcumene (S)-isomer of alpha-curcumene 1-(1,5-dimethyl-4-hexenyl)-4-methylbenzene 2-methyl-6-p-tolyl-2-heptene alpha-curcumene

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	5mg	HPLC≥98%	3040	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 37 37 0 1 0 0 0 0 0999 V2000 0.1974 1.9667 0.0436 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2506 1.4653 -0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2342 0.8573 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7785 0.5255 0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5459 3.0168 -1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0172 0.6658 1.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.0690 -1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 0.1392 0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 -0.3533 1.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3191 -0.9502 -1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 -1.1612 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7123 -0.9011 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -2.2514 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1687 -1.2320 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7818 -1.8564 -0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2288 2.4770 1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3452 0.9711 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9132 2.3410 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 -0.3651 1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 1.0285 1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 2.6196 -2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1306 3.8754 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5684 3.3880 -0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 1.2876 2.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7518 0.2170 -1.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9335 0.8076 1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5866 -0.5093 2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 -1.5747 -1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 -3.1798 0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5227 -2.4285 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 -1.9932 0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4518 -1.2057 -1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8045 -0.5187 0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3801 -2.2306 0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0778 -1.9605 -1.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8392 -2.8443 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7337 -1.5498 -0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 16 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 10 2 0 0 0 0 7 25 1 0 0 0 0 8 12 2 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 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

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4. 国际命名与标识

4.1 IUPAC Name

1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene

4.2 InChl

InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m0/s1

4.3 InChlKey

VMYXUZSZMNBRCN-AWEZNQCLSA-N

4.4 Canonical SMILES

CC1=CC=C(C=C1)C(C)CCC=C(C)C

4.5 lsomeric SMILES

CC1=CC=C(C=C1)[C@@H](C)CCC=C(C)C

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
矮地茶	Japanese Ardisia Herb	Ardisiae japonicae
艾叶	leaf of Argy Wormwood	Folium Artemisiae Argyi
安息香	Benzoin	Benzoinum
巴戟天	Morindae Officilis Radix	-
白芷	Dahurian Angelica Root	Radix Angelicae Dahuricae
白术	rhizome of Largehead Atractylodes	Rhizoma Atractylodis macrocephalae
侧柏叶	leafy twigs of Oriental Arborvitae	Cacumen et Folium Biotae
柴胡	root of Chinese Thorowax	Radix Bupleuri
川木香	Common Vladimiria	Vladimiria souliei [Syn. Jurinea souliei]
川乌	root of Common Monkshood	Radix Aconiti

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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