CAS号:57-83-0-黄体酮 - Progesterone-科华智慧

1. 主信息

英文名:	Progesterone
中文名:	黄体酮
CAS编号:	57-83-0
化学分子式：	C₂₁H₃₀O₂
化学分子量：	314.5 g/mol
SMILES：	CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
来源：	-
结构类型：	-
其它名称或标识：	Pregnenedione Progesterone Progesterone, (13 alpha,17 alpha)-(+-)-Isomer Progesterone, (17 alpha)-Isomer Progesterone, (9 beta,10 alpha)-Isomer

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	20mg	HPLC≥98%	72	点击购买	2-8℃	现货	-
科华智慧	50mg	HPLC≥98%	160	点击购买	2-8℃	现货	-
科华智慧	100mg	HPLC≥98%	280	点击购买	2-8℃	现货	-
科华智慧	1ml	100μg/ml in acetonitrile	152	点击购买	2-8℃	现货	-
科华智慧	5g	BR，98%	44	点击购买	2-8℃	现货	-
科华智慧	25g	BR，98%	152	点击购买	2-8℃	现货	-
科华智慧	100g	BR，98%	552	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 53 56 0 1 0 0 0 0 0999 V2000 5.5193 -0.1943 -0.6738 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0868 -0.2507 1.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4339 0.9512 0.3837 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3077 -0.2438 -0.0536 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0467 0.9463 -0.2670 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6905 -0.3711 0.1300 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1518 -0.4560 -0.4583 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6031 0.0988 0.7150 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6068 -1.5287 0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1769 -1.6282 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 2.1533 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 2.1632 0.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7406 1.6284 0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9014 0.8486 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5671 -0.3066 -1.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1694 2.1357 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8808 -1.6553 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1473 -0.6683 -1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8185 -0.6330 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -1.6330 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1546 0.9011 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9586 -0.3272 0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1424 -1.9304 0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 0.8817 1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1587 0.9952 -1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.3333 1.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.1162 1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5563 -1.5603 1.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1719 -2.4141 0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 -1.8175 -1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2911 -2.5134 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 3.0076 0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 2.4836 -0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2776 3.0892 -0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8664 2.1911 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4788 1.9412 -0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0549 2.0657 1.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 0.5632 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 -1.1975 -1.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6446 -0.3621 -2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0853 2.2528 -1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7318 3.0064 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6716 -1.6512 1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4987 -2.6078 -0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5297 0.0706 -2.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7684 -1.6600 -2.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1568 -0.5891 -2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8349 -2.4457 0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6748 -1.7721 -1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6479 1.8437 0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2323 -1.7651 2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3687 -2.6714 0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0984 -2.3109 0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 22 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 24 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 26 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 13 1 0 0 0 0 8 19 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 21 2 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(8S,9S,10R,13S,14S,17S)-17-acetyl-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/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1

4.3 InChlKey

RJKFOVLPORLFTN-LEKSSAKUSA-N

4.4 Canonical SMILES

CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

4.5 lsomeric SMILES

CC(=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 23 26 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 2.52083 -3.3905 0 0
M  V30 2 C 3.35945 -2.906 0 0
M  V30 3 O 4.19836 -3.39002 0 0
M  V30 4 C 3.35918 -1.93748 0 0
M  V30 5 C 4.19752 -1.45248 0 0
M  V30 6 C 4.19724 -0.483557 0 0
M  V30 7 C 2.51911 -0.484037 0 0
M  V30 8 C 2.51938 -1.45296 0 0
M  V30 9 C 1.67987 -1.93796 0 0
M  V30 10 C 0.840071 -1.45344 0 0
M  V30 11 C 0.839794 -0.484516 0 0
M  V30 12 C 1.67931 0.000479562 0 0
M  V30 13 C 1.67903 0.969991 0 0
M  V30 14 C 0.839241 1.45451 0 0
M  V30 15 C -0.000276864 0.969512 0 0
M  V30 16 C -0.839484 1.45403 0 0
M  V30 17 C -1.67841 0.969032 0 0
M  V30 18 O -2.54465 1.46866 0 0
M  V30 19 C -1.67814 -0.000479226 0 0
M  V30 20 C -0.83893 -0.484995 0 0
M  V30 21 C -0 -0 0 0
M  V30 22 C 0.00028557 -1 0 0
M  V30 23 C 2.51967 -2.45296 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 4 8
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 7 12
M  V30 9 1 7 8
M  V30 10 1 8 9
M  V30 11 1 8 23
M  V30 12 1 9 10
M  V30 13 1 10 11
M  V30 14 1 11 21
M  V30 15 1 11 12
M  V30 16 1 12 13
M  V30 17 1 13 14
M  V30 18 1 14 15
M  V30 19 1 15 21
M  V30 20 2 15 16
M  V30 21 1 16 17
M  V30 22 2 17 18
M  V30 23 1 17 19
M  V30 24 1 19 20
M  V30 25 1 20 21
M  V30 26 1 21 22
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
茺蔚子	Motherwort Fruit	Fructus Leonuri
大黄	root and rhziome of Sorrel Rhubarb	Radix et Rhizoma Rhei
沙棘	fruit of seabuckthorn	fructus hippophae
唐古特大黄	Tangut Rhubarb	Rheum tanguticum
掌叶大黄	Sorrel Rhubarb	Rheum palmatum
紫河车	Human Placenta	Homo sapiens
紫苏	Perilla Frutescens	-

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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