Cholest-5-EN-3-one 5-胆甾烯-3-酮
CAS 601-54-7 MFCD00009940
化学结构图
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. Formula | C27H44O |
|---|---|
| Mol. Weight | 384.65 |
| Melting Point | 125-127°C |
| Boiling Point | 451.27 °C at 760 mmHg |
别名和识别编码
| Chemical Name | 3-Keto Cholesterol |
|---|---|
| CAS Number | 601-54-7 |
| 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 Number | MFCD00009940 |
| PubChem Substance ID | 9908107 |
| EC Number | 210-004-6 |
| Chemical Name Translation | 5-胆甾烯-3-酮 |
| InChIKey | GGCLNOIGPMGLDB-GYKMGIIDSA-N |
| Wiswesser Line Notation | L E5 B666 OV LUTJ A1 E1 FY1&3Y1&1 |
| LabNetwork Molecule ID | LN00198644 |
| InChI | InChI=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 SMILES | C[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
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
