Cholest-4-en-3-one 4-胆甾烯-3-酮

CAS 601-57-0 MFCD00003663

化学结构图

601-57-0
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

化学属性

Mol. FormulaC27H44O
Mol. Weight385
Density1.422
Melting Point79-81
TSCAYes
Solubility<0.5 G/L

别名和识别编码

Chemical NameΔ4-Cholesten-3-one
Synonym (+)-4-CHOLESTEN-3-ONE (+)-4-Cholesten-3-one (+)-4-Cholesten-3-one,(+)-3-Oxo-4-cholestene (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-ONE 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one 3-Keto-4-cholestene, 3-Oxo-4-cholest 3-Oxo-4-cholesten 3-Oxo-4-cholestene 3-Oxocholest-4-ene 4-cholesten-3-one 4-胆 Cholest-4-en-3-one cholest-4-en-3-one delta4-Cholesten-3-one {} {} {} {}
CAS Number601-57-0
EC Number210-005-1
Beilstein Registry Number2224119
MDL NumberMFCD00003663
PubChem Substance ID91477
Reaxys-RN2224119
Chemical Name Translation4-胆甾烯-3-酮
InChIKeyNYOXRYYXRWJDKP-GYKMGIIDSA-N
LabNetwork Molecule IDLN00199951
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/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/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
  • {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Complex Molecules

相关文献及参考

  • [2]. Neuvonen M, et, al. Enzymatic oxidation of cholesterol: properties and functional effects of cholestenone in cell membranes. PLoS One. 2014 Aug 26;9(8):e103743.
  • 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
  • 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

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
RTECSFZ7700000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter 
TYPE OF TEST            : Sister chromatid exchange
ROUTE OF EXPOSURE       : Rectal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 94 mg/kg
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 8(Suppl
   6),41,1986

其他信息

  • TCI Shanghai:4-胆甾烯-3-酮 (+)-4-Cholesten-3-one,>;95.0%(GC)(601-57-0)
  • 海关编码:29142900
  • 4-胆甾烯-3-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 C1366 4-胆甾烯-3-酮 (+)-4-Cholesten-3-one 5G 558元 2010/06/21 SB01791EA 4-胆甾烯-3-酮 4-Cholesten-3-one 10 GR 1065元 2010/06/21 SB01791DA 4-胆甾烯-3-酮 4-Cholesten-3-one 1 GR 315元
  • Acros Organics:4-Cholesten-3-one, 98+%(601-57-0)
  • MSDS 信息:(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one(601-57-0).msds
  • MOL 文件:601-57-0.mol
  • Alfa Aesar:4-胆甾烯-3-酮,98+% 4-Cholesten-3-one, 98+%(601-57-0)
  • 比旋光度:92.5 ° (c=2, CHCl3)
  • 图谱信息:4-胆甾烯-3-酮(601-57-0)核磁图( 13 CNMR) 4-胆甾烯-3-酮(601-57-0)质谱(MS) 4-胆甾烯-3-酮(601-57-0)红外图谱(IR2) 4-胆甾烯-3-酮(601-57-0)红外图谱(IR1)
  • Sigma Aldrich:601-57-0(sigmaaldrich)

系列性分类

  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Lipids - Biochemicals and Reagents
  4. Sterol Lipids - Lipids
  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
  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
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Steroids
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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