Epiandrosterone Acetate 醋酸去氢表雄酮

CAS 1239-31-2 MFCD00067127

化学结构图

1239-31-2
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1

化学属性

Mol. FormulaC21H32O3
Mol. Weight332.53
Melting Point169-173 ºC

别名和识别编码

Chemical NameEpiandrosterone Acetate
Synonym 3-羟基-雄甾-5-烯-17-酮-3-醋酸酯 ISOANDROSTERONE ACETATE DHEA-acetate (3-beta,5-alpha)-3-(acetyloxy)androstan-17-one 3β-acetoxy-(5α)-androstan-17-one 3β-Acetoxy-5α-androstan-17-one Acetic acid (3S,5S,8R,10S,13S)-10,13-dimethyl-17-oxo-hexadecahyd Dehydroepiandrosterone acetate Epiandrosterone acetate Isoandrosterone acetate Acetic acid (3S,5S,8R,10S,13S)-10,13-dimethyl-17-oxo-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester 5-EPIANDROSTER-17-ONE ACETATE 5-Epiandroster-17-one 3-BETA-ACETOXY-5-ALPHA-ANDROSTAN-17-ONE 3-beta-hydroxyandrosten-17-oneacetate 5α-Androstan-3β-ol-17-one acetate TRANSA (3-beta,5-alpha)-3-(Acetyloxy)androstan-17-one 5ALPHA-ANDROSTAN-3BETA-OL-17-ONE 3-ACETATE Androstan-17-one, 3-(acetyloxy)-, (3β,5α)- 5-Epiandroster-17-one acetate; Dehydroepiandrosterone acetate; 5-Androsten-3b-ol-17-one acetate; DHEA-acetate 17-Oxo-5α-androstan-3β-yl acetate 3-beta-Hydroxyandrosten-17-one acetate 5-Androsten-3b-ol-17-one acetate 3β-acetyloxyepiandrosterone 3-beta-hydroxy-androsten-17-onacetate 5α-Androstan-17-one, 3β-hydroxy-, acetate 5-ALPHA-ANDROSTAN-3-BETA-OL-17-ONE ACETATE EPIANDROSTERONE ACETATE Epiandrosterone, dehydro-, acetate 醋酸去氢表雄酮 5α-Androstan-3β-acetoxy-17-one 3-(acetyloxy)-,(3-beta,5-alpha)-androstan-17-on epi-Androsterone acetate 5-Epiandrosterone-17-oneacetate 5-雄甾烯-3β-醇-17-酮-3-醋酸酯 dehydro-epiandrosteronacetate ACETIC ACID (3S,5S,8R,9S,10S,13S,14S)-10,13-DIMETHYL-17-OXO-HEXADECAHYDRO
CAS Number1239-31-2
MDL NumberMFCD00067127
Chemical Name Translation醋酸去氢表雄酮
Beilstein Registry Number2625063
InChIKeyFDCINQSOYQUNKB-HGDYXINXSA-N
PubChem Substance ID908740
InChIInChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15-,16-,17-,18-,20-,21-/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; ester; ketone; 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.

安全信息

RTECSBV8396800 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 18(2),32,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >8 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 18(2),32,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1900 ug/kg
SEX/DURATION            : female 1-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - other postnatal measures or effects
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 22(6),25,1978

Hazard statements
  • H312 Harmful in contact with skin 皮肤接触有害
  • H332 Harmful if inhaled 吸入有害
  • H351 Suspected of causing cancer 怀疑致癌
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P302+P352
  • P304+P312
  • P304+P340
  • P308+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

其他信息

  • 下游产品:表雄酮 --> 2,3-开环-5Α-雄甾(烷)-17-酮-2,3-二羧酸
  • MOL 文件:1239-31-2.mol
  • 上游原料:盐酸羟胺 --> 醋酸去氢表雄酮 --> 3β-羟基-20-羟亚氨基孕甾-5,16-二烯-20-酮-3-醋酸酯
  • 用途二:避孕药炔诺酮的中间体。
  • 用途一:用作医药炔诺酮中间体
  • 方法一:将乙醇、盐酸羟胺、吡啶搅拌回流溶解，加入醋酸妊娠双烯醇酮，继续回流3h，冷却至5℃，过滤，滤饼用乙醇洗涤，再用温水洗至中性，干燥，得醋酸妊娠双烯酮肟。然后，将后者与苯、吡啶一起搅拌冷却至0℃左右，缓缓加入氧氯化磷与苯的混合液，于4-7℃反应3h。再加盐酸水解，在5℃左右保温2h。静置，分去水层，苯层用水洗涤后进行水蒸汽蒸馏，苯蒸尽后即有淡黄色固体析出，过滤，水洗至中性，80℃干燥，得去氢表雄酮醋酸酯。
  • Sigma Aldrich:1239-31-2(sigmaaldrich)

系列性分类

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