CAS号:57-85-2-丙酸睾丸素 - Testosterone Propionate-科华智慧

1. 主信息

英文名:	Testosterone Propionate
中文名:	丙酸睾丸素
CAS编号:	57-85-2
化学分子式：	C₂₂H₃₂O₃
化学分子量：	344.5 g/mol
SMILES：	CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
来源：	-
结构类型：	-
其它名称或标识：	Agovirin Eifelfango, Testosteron Propionat Testosteron propionat Eifelfango Testosterone Propionate Virormone

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	1.2ml	100μg/ml in methanol	104	点击购买	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 57 60 0 1 0 0 0 0 0999 V2000 -4.0621 0.5951 -0.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6953 0.2303 1.2493 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4939 -0.6247 1.2543 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -0.9550 0.1540 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6252 0.2620 -0.2502 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6471 -0.8992 -0.4223 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3525 0.3911 0.1026 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8421 0.5220 -0.4001 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9662 1.5187 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4919 1.6623 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9571 -0.1344 0.4151 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6651 -2.1453 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4593 -2.1400 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0877 -1.6415 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5845 -0.7974 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8175 0.4387 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -2.0634 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5257 1.6744 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 0.8402 -1.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0426 1.6706 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8109 -0.8786 0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5942 0.3360 0.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2918 0.2498 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3571 1.1171 -0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7471 0.7712 0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6666 -0.9572 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5902 -0.8711 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4043 0.2783 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9732 1.4741 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5334 2.4160 0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4968 1.9265 -1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9281 2.5158 0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8896 0.0241 1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4181 -3.0273 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5769 -2.4264 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -3.0445 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4889 -2.2439 1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7556 -1.8509 -0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -2.1712 0.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3325 -0.4119 -2.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4199 1.3299 -1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 0.5610 -2.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8527 -2.1041 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 -2.9550 -0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 1.5946 1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1573 2.6500 0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 0.1374 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5463 1.8471 -2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9476 0.7929 -2.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 2.4424 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3812 1.8829 -0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2994 -1.8320 0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1345 2.1631 0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3203 0.9775 -1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8166 0.9065 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4956 1.4138 -0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9987 -0.2707 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 23 1 0 0 0 0 2 22 2 0 0 0 0 3 23 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 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 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 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)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate

4.2 InChl

InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1

4.3 InChlKey

PDMMFKSKQVNJMI-BLQWBTBKSA-N

4.4 Canonical SMILES

CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

4.5 lsomeric SMILES

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

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -3.85414 5.43585 0 0
M  V30 2 C -3.36841 4.5951 0 0
M  V30 3 C -3.85366 3.75408 0 0
M  V30 4 O -4.82463 3.7538 0 0
M  V30 5 O -3.36793 2.91334 0 0
M  V30 6 C -3.36766 1.94237 0 0
M  V30 7 C -4.20812 1.45615 0 0
M  V30 8 C -4.20784 0.484778 0 0
M  V30 9 C -2.52547 0.485258 0 0
M  V30 10 C -2.52574 1.45663 0 0
M  V30 11 C -1.68411 1.94285 0 0
M  V30 12 C -0.842192 1.45711 0 0
M  V30 13 C -0.841914 0.485739 0 0
M  V30 14 C -1.68355 -0.000480772 0 0
M  V30 15 C -1.68327 -0.97244 0 0
M  V30 16 C -0.841359 -1.45818 0 0
M  V30 17 C 0.000277563 -0.971959 0 0
M  V30 18 C 0.841603 -1.4577 0 0
M  V30 19 C 1.68265 -0.971479 0 0
M  V30 20 O 2.54889 -1.47111 0 0
M  V30 21 C 1.68237 0.000480436 0 0
M  V30 22 C 0.841048 0.48622 0 0
M  V30 23 C 0 -0 0 0
M  V30 24 C -0.00028557 1 0 0
M  V30 25 C -2.52603 2.45663 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 3 5
M  V30 5 1 5 6
M  V30 6 1 6 10
M  V30 7 1 6 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 14
M  V30 11 1 9 10
M  V30 12 1 10 11
M  V30 13 1 10 25
M  V30 14 1 11 12
M  V30 15 1 12 13
M  V30 16 1 13 23
M  V30 17 1 13 14
M  V30 18 1 14 15
M  V30 19 1 15 16
M  V30 20 1 16 17
M  V30 21 1 17 23
M  V30 22 2 17 18
M  V30 23 1 18 19
M  V30 24 2 19 20
M  V30 25 1 19 21
M  V30 26 1 21 22
M  V30 27 1 22 23
M  V30 28 1 23 24
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

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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