Methandriol 美雄醇
CAS 521-10-8 MFCD00021126
化学结构图
SMILES: C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
化学属性
| Mol. Formula | C20H32O2 |
|---|---|
| Mol. Weight | 304.52 |
| Appearance | 结晶（乙酸乙酯）。熔点205.5-206.5℃。[α]20/D-73°（乙醇）。微溶于某些有机溶剂，不溶于水。 |
| Melting Point | 205 °C |
| Refractive index | -75 ° (C=1, EtOH) |
别名和识别编码
| Chemical Name | Androst-5-ene-3,17-diol, 17-methyl-, (3-beta,17-beta) |
|---|---|
| Synonym | 17alpha-Methyl-delta5-androsten-3beta,17beta 17α-甲基-5-雄烯-3β,17β-二醇 17A-甲基雄甾-5-烯-3B,17B-二醇 Masdiol Nabadial Notandron-depot androst-5-ene-3,17-diol,17 甲基雄烯二醇 Crestabolic METHANDRIOL Metidione 17-beta-diol,17-me 美雄醇 Metendiol Mestenediol Androstestone-M Androdiol Troformone Methostan Androst-5-ene-3-be MAD Androteston-M Diolostene (3S,8R,10R,13S,17S)-10,13,17-Trimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H< {Ch Megabion Stenediol 17-alpha-Methyl-5-androstene-3-beta,17-beta-diol Metandiol Metandriol 5-ANDROSTEN-17-ALPHA-METHYL-3-BETA, 17-BETA-DIOL 17α-甲基雄甾-5-烯-3β,17β-二醇 Androst-5-ene-3,17-diol, 17-methyl-, (3beta,17beta)- Androst-5-ene-3,17-diol, 17-methyl-, 17-Methylandrost-5-ene-3,17-diol Metildiolo 甲基峻峨 17alpha-Methylandrost-5-ene-3beta,17beta-diol 17ALPHA-METHYLANDROSTENDIOL Stenibell Methanabol Androtestone-M Neosteron 17A-METHYL-D-ANDROSTEN-3B,17B-DIOL Androst-5-ene-3beta,17beta-diol, 17-methyl- Methandriol Neutrosteron Methylandrostenediol; 17a-Methyl-3b,17 Neutrormone Protandren Notandron Metocryst methandriol 17-Methylandrost-5-ene-3-beta,17-beta-diol Diolandrone Madiol Cenabolic Methylandrostendiol {Chemicalb |
| EC Number | 208-301-0 |
| CAS Number | 521-10-8 |
| MDL Number | MFCD00021126 |
| Chemical Name Translation | 美雄醇 |
| Merck Number | 5950 |
| Wiswesser Line Notation | L E5 B666 LUTJ A1 E1 FQ F1 OQ |
| PubChem Substance ID | 229021 |
| InChI | InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/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; alcohol; chiral; 1fragment
相关文献及参考
- 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 available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
- 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 : Unreported SPECIES OBSERVED : Human - woman DOSE : 64 mg/kg SEX/DURATION : female 26-39 week(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - urogenital system REFERENCE : GEFRA2 Geburtshilfe und Frauenheilkunde. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1939- Volume(issue)/page/year: 13,216,1953
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE : 42 gm/kg SEX/DURATION : female 1-21 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - cytological changes (including somatic cell genetic material) Reproductive - Specific Developmental Abnormalities - hepatobiliary system REFERENCE : RMEMDQ Revue Roumaine de Morphologie, d'Embryologie et de Physiologie, Serie Morphologie et Embryologie. (Rompresfilatelia, POB 12-201, Bucharest, Romania) V.21- 1975- Volume(issue)/page/year: 26,33,1980
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE : 875 mg/kg SEX/DURATION : female 1-22 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - gastrointestinal system REFERENCE : RMEMDQ Revue Roumaine de Morphologie, d'Embryologie et de Physiologie, Serie Morphologie et Embryologie. (Rompresfilatelia, POB 12-201, Bucharest, Romania) V.21- 1975- Volume(issue)/page/year: 26,303,1980
其他信息
- 图谱信息:美雄醇(521-10-8)核磁图( 13 CNMR) 美雄醇(521-10-8)红外图谱(IR1) 美雄醇(521-10-8)红外图谱(IR2) 美雄醇(521-10-8)质谱(MS) 美雄醇(521-10-8)Raman光谱
- 用途一:甲基睾丸素的中间体。
- 方法一:用去氢表雄酮醋酸酯与碘甲烷-镁（格氏试剂）加成反应，然后水解制得该品。
- Sigma Aldrich:521-10-8(sigmaaldrich)
- 上游原料:碘甲烷 --> 格氏试剂 --> 醋酸去氢表雄酮
- MOL 文件:521-10-8.mol
- TCI Shanghai:甲基雄烯二醇 Methylandrostenediol,>;98.0%(GC)(521-10-8)
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