Cholest-4-en-3-one 4-胆甾烯-3-酮
CAS 601-57-0 MFCD00003663
化学结构图
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. Formula | C27H44O |
|---|---|
| Mol. Weight | 385 |
| Density | 1.422 |
| Melting Point | 79-81 |
| TSCA | Yes |
| Solubility | <0.5 G/L |
别名和识别编码
| Chemical Name | Δ4-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 Number | 601-57-0 |
| EC Number | 210-005-1 |
| Beilstein Registry Number | 2224119 |
| MDL Number | MFCD00003663 |
| PubChem Substance ID | 91477 |
| Reaxys-RN | 2224119 |
| Chemical Name Translation | 4-胆甾烯-3-酮 |
| InChIKey | NYOXRYYXRWJDKP-GYKMGIIDSA-N |
| LabNetwork Molecule ID | LN00199951 |
| 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/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1 |
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资金保障
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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
GHS Symbol
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- 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.....
- H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
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)
