Cholest-5-EN-3-one 5-胆甾烯-3-酮

CAS 601-54-7 MFCD00009940

化学结构图

601-54-7
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

化学属性

Mol. FormulaC27H44O
Mol. Weight384.65
Melting Point125-127°C
Boiling Point451.27 °C at 760 mmHg

别名和识别编码

Chemical Name3-Keto Cholesterol
CAS Number601-54-7
Synonym Cholest-5-en-3-one {LY} Cholest-5-en-3-one cholest-5-en-3-one {} {LY} Cholest-5-en-3-one {} {} {LY} Cholest-5-en-3-one {} {} {} {LY} Cholest-5-en-3-one {} {} {} {} {LY} Cholest-5-en-3-one {} {} {} {} {} {LY} Cholest-5-en-3-one {} {} {} {} {} {} {LY} Cholest-5-en-3-one {} {} {} {} {} {} {} {LY} Cholest-5-en-3-one {} {} {} {} {} {} {} {} {LY} Cholest-5-en-3-one {} {} {} {} {} {} {} {} {} {LY} Cholest-5-en-3-one {} {} {} {} {} {} {} {} {} {} {LY} Cholest-5-en-3-one {} {} {} {} {} {} {} {} {} {} {} {LY} Cholest-5-en-3-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cholest-5-en-3-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cholest-5-en-3-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cholest-5-en-3-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cholest-5-en-3-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00009940
PubChem Substance ID9908107
EC Number210-004-6
Chemical Name Translation5-胆甾烯-3-酮
InChIKeyGGCLNOIGPMGLDB-GYKMGIIDSA-N
Wiswesser Line NotationL E5 B666 OV LUTJ A1 E1 FY1&3Y1&1
LabNetwork Molecule IDLN00198644
InChIInChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,22-25H,6-8,10-17H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
Canonical SMILESC[C@@]12[C@](CC[C@]2([H])[C@H](C)CCCC(C)C)([H])[C@@]3([H])[C@@](CC1)([H])[C@@]4(C(CC(CC4)=O)=CC3)C
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分类

  • Pharmaceuticals
  • {uni_hamburg} no charge; carbocycle; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; ketone; chiral; 1fragment
  • Intermediates & Fine Chemicals
  • {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Complex Molecules
  • Steroids,
  • Metabolites & Impurities

产品应用

  • A metabolite of Cholesterol.

相关文献及参考

  • Kieslich, K., et al.: J. Basic. Microbiol., 25, 461 (1985),
  • Wakeham, S., et al.: Nature, 342, 787 (1989),
  • Pollegioni, L., et al.: Eur. J. Biochem., 264, 140 (1999),
  • Short: III/5b Title: Structure Data of Organic Crystals: C 14 ... C 120 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5b Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
  • 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
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 760 mg/kg/16W
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   6,403,1946

RTECSFZ7875000
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

系列性分类

  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Complex Molecules - Chiral Building Blocks

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