4-Pregnene-3,11,20-Trione 4-孕烯-3,11,20-三酮

CAS 516-15-4 MFCD00021110

化学结构图

516-15-4
SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C

化学属性

Mol. FormulaC21H28O3
Mol. Weight328
Melting Point173.0 to 177.0 deg-C
Appearance crystalline

别名和识别编码

Chemical Name4-Pregnene-3,11,20-Trione
Synonym Pregn-4-ene-3,11,20-trione 11-KETOPROGESTERONE 11-Oxopregn-4-ene-3,20-dione 11-Ketoprogesterone Δ4-Pregnene-3,11,20-trione 4-Pregnene-3,11,20-trione 11-Oxoprogesterone U 1258 (8S,10R,13S,17S)-17-Acetyl-10,13-dimethyl-1,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene-3,11-dione Ketoprogesterone ?4-Pregnene-3,11,20-trione Ketogestin
MDL NumberMFCD00021110
CAS Number516-15-4
Reaxys-RN2063775
PubChem Substance ID94166
Chemical Name Translation4-孕烯-3,11,20-三酮
EC Number208-222-1
Wiswesser Line NotationL E5 B666 CV OV MUTJ A1 E1 FV1
Beilstein Registry Number2063775
LabNetwork Molecule IDLN01299953
InChIInChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16+,17-,19+,20-,21+/m0/s1
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; ketone; chiral; 1fragment

相关文献及参考

  • Short: II/27C Title: Diamagnetic Susceptibility and Magnetic Anisotropy of Organic Compounds Author: Kumar, Mahendra; Gupta, Rajni Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27C Year: 2008 Keyword: diamagnetic susceptibility; magnetic anisotropy; organic compounds ISBN: 978-3-540-44734-4 (print) ISBN: 978-3-540-44736-8 (online) Internet Resource: doi:10.1007/978-3-540-44736-8 RefComment: VIII, 204 p., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds (Part 1); Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds (Part 2). The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005.
  • 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 a

安全信息

RTECSTU5513000
TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 50 umol/L
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 146,401,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 2500 ug/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
REFERENCE :
   85GRAA "The Control of Fertility," Pincus, G., New York, Academic Press,
   1965  Volume(issue)/page/year: -,111,1965

其他信息

  • 图谱信息:4-孕烯-3,11,20-三酮(516-15-4)核磁图( 13 CNMR) 4-孕烯-3,11,20-三酮(516-15-4)红外图谱(IR1)
  • TCI Shanghai:4-孕烯-3,11,20-三酮 4-Pregnene-3,11,20-trione(516-15-4)
  • color:white
  • Sigma Aldrich:516-15-4(sigmaaldrich)
  • MOL 文件:516-15-4.mol
  • 4-孕烯-3,11,20-三酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0771 4-孕烯-3,11,20-三酮 4-Pregnene-3,11,20-trione 1G 968元

系列性分类


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