CAS号:--- - (1S,1aR,4R,4aS,7R,7aS,7bS)-1,4-bis(hydroxymethyl)-1,7-dimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol-科华智慧

1. 主信息

英文名:	(1S,1aR,4R,4aS,7R,7aS,7bS)-1,4-bis(hydroxymethyl)-1,7-dimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
中文名:	-
CAS编号:	-
化学分子式：	C₁₅H₂₆O₃
化学分子量：	254.36 g/mol
SMILES：	C[C@@H]1CC[C@H]2[C@@H]1[C@H]3[C@H]([C@]3(C)CO)CC[C@@]2(CO)O
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 44 46 0 1 0 0 0 0 0999 V2000 3.3634 -0.1309 -0.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9725 -1.9091 -0.6191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 -2.1183 1.0189 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0964 0.3190 -0.3769 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0806 -0.6840 0.1743 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0541 -1.1129 -0.8351 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0981 0.9520 0.5690 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3652 0.9333 0.0786 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0772 -2.0052 -0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3099 2.4875 0.6376 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0934 -0.4129 -0.1290 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3949 -1.4583 -1.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3432 1.9255 -1.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5228 -0.6212 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8683 -1.1255 1.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3461 3.0138 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7393 2.9671 0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4508 -1.0197 1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4361 1.0027 -1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3848 -1.2942 -1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1382 0.5719 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 1.4518 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -2.9596 -0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1568 -2.2847 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 2.8691 1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 -2.3035 -1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.0391 -2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9985 1.4459 -2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 2.3530 -1.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6844 0.0716 -1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1447 -0.2870 0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -0.4107 2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3622 -2.0916 1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8422 -1.2555 1.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8587 3.9629 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 3.1923 -1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1724 2.5123 1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7585 4.0544 0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3873 2.7304 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -1.3439 1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0062 -0.3053 1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8341 0.5146 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9114 -1.8185 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0925 -1.7935 0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 42 1 0 0 0 0 2 14 1 0 0 0 0 2 43 1 0 0 0 0 3 18 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 22 1 0 0 0 0 9 12 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(1S,1aR,4R,4aS,7R,7aS,7bS)-1,4-bis(hydroxymethyl)-1,7-dimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol

4.2 InChl

InChI=1S/C15H26O3/c1-9-3-4-10-12(9)13-11(14(13,2)7-16)5-6-15(10,18)8-17/h9-13,16-18H,3-8H2,1-2H3/t9-,10+,11-,12-,13-,14+,15+/m1/s1

4.3 InChlKey

XJCYHYLKHMEKAZ-YPYWCSBCSA-N

4.4 Canonical SMILES

C[C@@H]1CC[C@H]2[C@@H]1[C@H]3[C@H]([C@]3(C)CO)CC[C@@]2(CO)O

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