CAS号:58-22-0-睾酮 - Testosterone-科华智慧

1. 主信息

英文名:	Testosterone
中文名:	睾酮
CAS编号:	58-22-0
化学分子式：	C₁₉H₂₈O₂
化学分子量：	288.4 g/mol
SMILES：	CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C
来源：	-
结构类型：	-
其它名称或标识：	17 beta Hydroxy 4 Androsten 3 one 17 beta Hydroxy 8 alpha 4 Androsten 3 one 17-beta-Hydroxy-4-Androsten-3-one 17-beta-Hydroxy-8 alpha-4-Androsten-3-one 8 Isotestosterone

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 49 52 0 1 0 0 0 0 0999 V2000 -5.1688 1.0642 0.3614 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5925 -0.1426 0.9668 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9987 -0.7358 0.3563 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7810 0.5499 0.0267 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6213 -0.7773 -0.3126 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2144 0.4455 0.1817 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6735 0.4721 -0.4175 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9904 1.7417 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5597 1.7829 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0932 0.2436 0.7739 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0022 -1.8482 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 -2.0834 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3586 -1.2435 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3266 -0.9044 -0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4991 -2.1048 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0589 0.7693 -1.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 1.5542 0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6734 0.8119 -1.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9963 1.4369 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 -1.0888 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 0.0565 0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8233 -0.7663 1.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7472 -0.7247 -1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 0.3087 1.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9293 1.6770 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5033 2.6847 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6041 2.0656 -1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0251 2.5906 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9663 0.3777 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7859 -2.7575 0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0056 -2.1153 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4556 -2.9414 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2096 -2.2096 1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0992 -1.3852 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 -1.7424 1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3981 -2.1230 -1.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9984 -3.0415 -0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -0.0294 -1.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5953 1.7114 -1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 0.8240 -2.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2935 1.4748 1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 2.5611 0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9981 0.1670 -2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3682 1.8480 -2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6709 0.6934 -2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5045 2.1630 0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2829 1.6420 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9997 -2.0795 0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4481 0.7930 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 49 1 0 0 0 0 2 21 2 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 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 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 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 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 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

4.2 InChl

InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1

4.3 InChlKey

MUMGGOZAMZWBJJ-DYKIIFRCSA-N

4.4 Canonical SMILES

CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C

4.5 lsomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 24 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 2.50783 -2.44613 0 0
M  V30 2 C 2.50754 -1.44613 0 0
M  V30 3 C 1.67197 -1.92885 0 0
M  V30 4 C 0.836123 -1.44661 0 0
M  V30 5 C 0.835848 -0.482239 0 0
M  V30 6 C 1.67142 0.000477308 0 0
M  V30 7 C 2.50727 -0.481762 0 0
M  V30 8 C 4.17752 -0.481285 0 0
M  V30 9 C 4.17779 -1.44566 0 0
M  V30 10 C 3.34339 -1.92837 0 0
M  V30 11 O 3.34368 -2.92837 0 0
M  V30 12 C 1.67114 0.965433 0 0
M  V30 13 C 0.835297 1.44767 0 0
M  V30 14 C -0.000275563 0.964956 0 0
M  V30 15 C -0.835539 1.4472 0 0
M  V30 16 C -1.67053 0.964479 0 0
M  V30 17 O -2.53677 1.46411 0 0
M  V30 18 C -1.67025 -0.000476974 0 0
M  V30 19 C -0.834988 -0.482716 0 0
M  V30 20 C -0 -0 0 0
M  V30 21 C 0.00028557 -1 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 7
M  V30 3 1 2 10
M  V30 4 1 2 3
M  V30 5 1 3 4
M  V30 6 1 4 5
M  V30 7 1 5 20
M  V30 8 1 5 6
M  V30 9 1 6 7
M  V30 10 1 6 12
M  V30 11 1 7 8
M  V30 12 1 8 9
M  V30 13 1 9 10
M  V30 14 1 10 11
M  V30 15 1 12 13
M  V30 16 1 13 14
M  V30 17 1 14 20
M  V30 18 2 14 15
M  V30 19 1 15 16
M  V30 20 2 16 17
M  V30 21 1 16 18
M  V30 22 1 18 19
M  V30 23 1 19 20
M  V30 24 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END

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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
昆布	Kelp or Tangle	Thallus Lamiriae
鹿鞭	Penis Cervi	Penis Cervi
墨旱莲	all-grass of Yerbadetajo	herba ecliptae
欧洲赤松	Scotch Pine	Pinus sylvestris
麝香	Abelmusk	Moschus moschiferus, Moschus berezovskii, Moschus

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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