CAS号:22567-36-8-[S-(R*,R*)]-α’-4-二甲基-α’-(4-甲基-3-戊烯基)-3-环己烯-1-甲醇

1. 主信息

英文名:	Bisabolol oxide A
中文名:	[S-(R,R)]-α’-4-二甲基-α’-(4-甲基-3-戊烯基)-3-环己烯-1-甲醇
CAS编号:	22567-36-8
化学分子式：	C₁₅H₂₆O₂
化学分子量：	238.37 g/mol
SMILES：	CC1=CCC(CC1)C2(CCC(C(O2)(C)C)O)C
来源：	合成化合物
结构类型：	-
其它名称或标识：	2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-tetrahydro-2H-pyran-3-ol bisabololoxide A BSBO cpd

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	20mg	HPLC≥98%	3840	-20°C	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 43 44 0 1 0 0 0 0 0999 V2000 -0.9133 -0.4452 0.5681 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 2.1265 0.3891 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4813 -0.5327 -0.7944 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0386 -0.2950 -0.7398 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1169 0.5541 -1.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3034 -0.2691 0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 0.6577 -1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9505 0.8326 0.0084 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3611 1.1079 -0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7259 -1.3586 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7011 -1.9384 -1.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8714 1.3646 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 0.1217 2.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 -1.5954 0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1496 -1.0205 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6837 0.2019 0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 0.4878 0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4484 -0.3681 -1.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8973 0.3647 -2.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7522 1.5584 -1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9979 1.5174 -2.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -0.2296 -1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 0.8418 0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 1.2343 0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9439 1.9172 -0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7365 -2.3183 -0.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1987 -1.5204 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0564 -2.1296 -2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5322 -2.7184 -0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7249 -2.0747 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 2.2538 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 1.5942 -1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6679 0.9835 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 0.3569 2.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9204 -0.6930 2.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0544 -1.5266 1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2494 -1.8872 -0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5131 -2.4130 1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7613 -1.8294 0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9093 2.3674 1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 0.8541 -0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 -0.4031 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1968 1.2501 1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 2 8 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 10 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 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 15 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 16 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(3S,6S)-2,2,6-trimethyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]oxan-3-ol

4.2 InChl

InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12-,13+,15+/m1/s1

4.3 InChlKey

WJHRAVIQWFQMKF-IPYPFGDCSA-N

4.4 Canonical SMILES

CC1=CCC(CC1)C2(CCC(C(O2)(C)C)O)C

4.5 lsomeric SMILES

CC1=CC[C@H](CC1)[C@@]2(CC[C@@H](C(O2)(C)C)O)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
栗柄金粉蕨	Lucidum Onychium	Onychium lucidum
木菊	-	-

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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