(6aR,6bS,8aS,8bS,9aR,10aS,10bR)-8b-acetyl-6a,8a-dimethyl-5,6,6a,6b,7,8,8a,8b,9a,10,10a,10b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-4(2H)-one 16,17-环氧黄体酮

CAS 1097-51-4 MFCD00055948

化学结构图

1097-51-4
SMILES: CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C

化学属性

Mol. FormulaC21H28O3
Mol. Weight328.45
Appearance 16,17-环氧黄体酮(1097-51-4)为白色结晶粉末，无臭，微溶于已醇；甲醇；甲苯。熔点201℃。
Refractive index168 ° (C=1, CHCl3)
Density
Boiling Point466.9±45.0 °C at 760 mmHg
Melting Point20 °C

别名和识别编码

Chemical Name(6aR,6bS,8aS,8bS,9aR,10aS,10bR)-8b-acetyl-6a,8a-dimethyl-5,6,6a,6b,7,8,8a,8b,9a,10,10a,10b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-4(2H)-one
Synonym 16α,17α-Epoxyprogesterone {LY} 16α,17α-Epoxyprogesterone {} {LY} 16α,17α-Epoxyprogesterone {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {} {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {} {} {} {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {} {} {} {} {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {} {} {} {} {} {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 16α,17α-Epoxyprogesterone {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00055948
PubChem Substance ID101966
CAS Number1097-51-4
EC Number214-147-5
Chemical Name Translation16,17-环氧黄体酮
Beilstein Registry Number
LabNetwork Molecule IDLN00840159
InChIInChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
Canonical SMILESCC([C@@]12[C@@](O2)([H])C[C@@]3([H])[C@]4([H])CCC5=CC(CC[C@]5(C)[C@@]4([H])CC[C@]13C)=O)=O
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分类

  • Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones, E, Hormones, Progesterone, Steroid Hormones
  • {SNA} Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones, E, Hormones, Progesterone, Steroid Hormones
  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; alicycle; large ring; fused rings; 3ring; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; 18ring; ketone; ether; chiral; 1fragment

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany3
RTECSTU5022000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 1 mg/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - other measures of fertility
REFERENCE :
   13OPAL "Control of Ovulation, Proceedings of the Conference, Dedham, MA,
   1960," Villee, C.A., ed., Oxford, UK, Pergamon Press Ltd., 1961
   Volume(issue)/page/year: -,37,1961

GHS Symbol
UN Number
Hazard Codes
Signal word
Safety Statements
Risk Statements
Precautionary statements
Packing Group

其他信息

  • 下游产品:醋酸可的松 --> 可的松 --> 21-碘-16Β-甲基孕甾-1,4,9(11)三烯-17Α-醇-3,20-二酮 --> 6-亚甲基孕甾-4-烯-17Α-醇-3,20-二酮-17-醋酸酯 --> 醋酸甲地孕酮 --> 16Β-甲基孕甾-1,4,9(11)-三烯-17Α-醇-3,20-二酮 --> 17-羟基孕甾-4-烯-3,20-二酮-17-醋酸酯 --> 17Α-羟基-21-碘黄体酮 --> 16Β-溴孕甾-4-烯-17Α-醇-3,20-二酮 --> 孕甾-3,5-二烯-3Β,17Α-二醇-20-酮-3,17-二醋酸酯
  • Sigma Aldrich:1097-51-4(sigmaaldrich)
  • 图谱信息:16,17-环氧黄体酮(1097-51-4)质谱(MS) 16,17-环氧黄体酮(1097-51-4)红外图谱(IR1) 16,17-环氧黄体酮(1097-51-4)核磁图( 13 CNMR) 16,17-环氧黄体酮(1097-51-4)红外图谱(IR2)
  • 16,17-环氧黄体酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 E0198 16,17-环氧黄体酮 16,17-Epoxyprogesterone 5G 1270元 2014/06/02 E0198 16,17-环氧黄体酮 16,17-Epoxyprogesterone 25G 4330元 2014/06/02 E0198 16,17-环氧黄体酮 16,17-Epoxyprogesterone 1G 421元
  • 上游原料:环己酮 --> 异丙醇铝 --> 薯蓣皂素
  • 方法一:可用薯蓣皂素经开环、乙酰化、氧化、水解、消除、环氧化、氧化等步反应制得该品。
  • 用途一:用于医药己酸孕酮中间体
  • TCI Shanghai:16,17-环氧黄体酮 16,17-Epoxyprogesterone,>;98.0%(LC)(1097-51-4)
  • 用途二:可的松醋酸酯、氢化可的松、甲地孕酮、己酸孕酮等药物的中间体。
  • MOL 文件:1097-51-4.mol

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Cytokines, Growth Factors and Hormones - Cell Signaling and Neuroscience
  5. Hormones - Cytokines, Growth Factors and Hormones
  6. Steroid Hormones - Hormones
  7. Progesterone - Steroid Hormones
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Steroids

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