CAS号:50-23-7-氢化可的松 - Hydrocortisone-科华智慧

1. 主信息

英文名:	Hydrocortisone
中文名:	氢化可的松
CAS编号:	50-23-7
化学分子式：	C₂₁H₃₀O₅
化学分子量：	362.5 g/mol
SMILES：	CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	11 Epicortisol 11-Epicortisol Cortef Cortifair Cortisol

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%	80	-20℃	现货	-
科华智慧	1.2ml	100μg/ml in methanol	104	-20℃，避光	现货	-
科华智慧	1.2ml	1000μg/ml in methanol	312	-20℃，避光	现货	-
科华智慧	1g	BR,98%	48	-20℃	现货	-
科华智慧	5g	BR,98%	120	-20℃	现货	-
科华智慧	25g	BR,98%	400	-20℃	现货	-
科华智慧	100g	BR,98%	1360	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 56 59 0 1 0 0 0 0 0999 V2000 3.1144 -0.2859 -1.9416 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 2.1443 1.2399 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3267 1.6729 0.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7987 0.5839 -0.4649 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4227 -0.0344 -1.3444 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 0.1629 0.1439 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9976 -1.0770 -0.0738 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4048 -0.9389 0.5376 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1203 0.2887 -0.1144 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2007 -0.3456 -0.5210 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2023 1.3572 -0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6188 0.4571 0.3689 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2481 1.5819 -0.0645 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8852 -2.2363 0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3025 -1.8232 -0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2196 -2.2201 0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1566 0.4723 1.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3459 -0.8879 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6438 -2.0894 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3005 1.5233 -0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7469 0.8977 1.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4119 0.4683 -0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8187 1.5076 -0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 -1.0370 -0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3417 0.1333 -0.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7297 -0.2757 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8473 -1.2116 -1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3282 -0.7923 1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1826 0.0413 -1.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 1.1932 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 2.2693 -0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6965 2.3364 -0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5866 -3.1835 -0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8513 -2.3707 1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9799 -1.9801 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6327 -2.4726 -0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7411 -3.0685 0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2414 -2.4588 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 1.4674 1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2472 0.4542 2.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -0.2458 2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6306 -2.0002 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1861 -3.0161 0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 1.3502 -1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 2.5298 -0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0849 0.3299 2.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5197 1.9601 1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7681 0.7560 2.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8725 -0.7647 -2.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 2.2162 -1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1788 1.7970 0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 2.9701 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0341 -2.0073 -0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7358 -1.0838 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8942 -0.6856 0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8615 1.2578 0.2335 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 13 1 0 0 0 0 2 52 1 0 0 0 0 3 22 2 0 0 0 0 4 26 1 0 0 0 0 4 56 1 0 0 0 0 5 25 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 10 15 1 0 0 0 0 10 22 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 18 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 32 1 0 0 0 0 14 15 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 16 19 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 24 2 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 23 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 26 1 0 0 0 0 23 25 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

4.2 InChl

InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1

4.3 InChlKey

JYGXADMDTFJGBT-VWUMJDOOSA-N

4.4 Canonical SMILES

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O

4.5 lsomeric SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O

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
马桑	Chinese Coriaria	Coriaria sinica [Syn. Coriaria nepalensis]
牛肾	Ox Kidney	Bos taurus domesticus, Bubalus bubalis
人尿	Human Urine	Homo sapiens
止泻木皮	Droughtdysentery Holarrhena Bark	Holarrhena antidysenterica

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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