找化学品上960化工网!
960化工网

醋酸去氢表雄酮 | 853-23-6

醋酸去氢表雄酮
dehydroisoandrosterone 3-acetate
853-23-6
C21H30O3
330.461106777191
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:醋酸去氢表雄酮结构式
24864315
醋酸去氢表雄酮价格
简介
Dehydroepiandrosterone 3-acetate 是雄性激素/雌性激素的前体物质,能够调节脊椎动物的攻击性行为。
名称和标识符
MDL MFCD00021119
InChIKey NCMZQTLCXHGLOK-ZKHIMWLXSA-N
Inchi 1S/C21H30O3/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/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1
SMILES C[C@]12CC[C@H](OC(=O)C)CC1=CC[C@H]1[C@@H]3CCC(=O)[C@]3(CC[C@H]21)C
别名信息
- 中文别名 -
  • 醋酸去氢表雄酮
  • 去氢表雄酮醋酸酯
  • 阿比特龙杂质1
  • 醋酸去氢表雄酮(重排物)制造
  • 醋酸去氢表雄酮,Dehydroepiandrosterone acetate
  • 醋酸去氢表雄酮,去氢表雄酮醋酸酯
  • 醋酸去氢表雄酮粉
  • 醋酸去氢素雄酮
  • 金阳碱
  • 3-β-羟基-去氧雄甾-5-烯-17-酮-3-醋酸酯
  • 3-羟基-雄甾-5-烯-17-酮-3-醋酸酯
  • 3-乙酸脱氢异雄甾酮
  • 反式-醋酸脱氢雄(甾)酮
  • 乙酸脱氢异雄甾酮
  • 醋酸去氢表雄
- 英文别名 -
  • dehydroisoandrosterone 3-acetate
  • Epiandrosterone Acetate
  • Dehydroepiandrosterone acetate
  • 3-(Acetyloxy)androst-5-ene-17-one
  • Apixaban
  • Dehydro Epiandrosterone 3-Acetate
  • DEHYDROISOANDROSTERONE ACETATE(DHEA ACETATE)(RG)
  • DHEA Acetate
  • DHEA-acetate, Dehydroepiandrosterone acetate
  • Prasterone Acetate
  • Dehydroepiandro-sterone acetate
  • 3-SS-HYDROXY-DEOXYANDROST-5-ENE-17-ONE-3-ACETATE
  • ANDROST-5-EN-17-ONE, 3-(ACETYLOXY)-, (3SS)-
  • DEHYDRO EPIANDROSTERONE 3-ACETATE,OFF-WHITE SOLID
  • DEHYDROANDROSTERONE ACETATE
  • DEHYDROISOANDROSTERONE ACETAT
  • DEHYDROISOANDROSTERONE-3-ACETATE
  • DHEAacetate(prasterone acetate)
  • Dehydroisoandrosterone acetate
  • 3b-Hydroxy-5-androstene-17-one acetate
  • Dehydroepiandrosterone 3-acetate
  • DHEA acetate
  • Prasterone acetate
  • Dehydroisoandrosterone 3-acetate
  • (3β)-3-(Acetyloxy)androst-5-en-17-one (ACI)
  • Androst-5-en-17-one, 3β-hydroxy-, acetate (6CI, 8CI)
  • 17-Oxoandrost-5-en-3β-yl acetate
  • 3β-Acetoxy-5-androstene-17-one
  • 3β-Acetoxyandrost-5-en-17-one
  • 3β-Acetoxyandrosta-5-en-17-on
  • 3β-Acetoxydehydroepiandrosterone
  • 3β-Acetyloxyandrost-5-en-17-one
  • 3β-Hydroxy-5-androsten-17-one acetate
  • 3β-Hydroxy-5-androstene-17-one acetate
  • 3β-Hydroxyandrost-5-en-17-one 3-acetate
  • 5-Androsten-3β-ol-17-one acetate
  • 5-Androstene-3β-ol-17-one-3-acetate
  • Androstenolone acetate
  • Dehydroandrosterone acetate
  • Dehydroepiandrost-5-en-17-one 3-acetate
  • SKF 2847
  • trans-Dehydroandrosterone acetate
  • Δ5-Dehydroepiandrosterone 3-acetate
物化性质
实验特性
LogP 4.45000
PSA 43.37000
折射率 1.5192 (estimate)
沸点 407.89°C (rough estimate)
熔点 168-170 ºC
闪点 188.1 °C
颜色与性状 Powder
溶解性 未确定
密度 1.0998 (rough estimate)
计算特性
精确分子量 330.21900
氢键供体数量 0
氢键受体数量 3
可旋转化学键数量 2
同位素质量 330.219
重原子数量 24
复杂度 606
同位素原子数量 0
确定原子立构中心数量 6
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3.8
互变异构体数量 2
表面电荷 0
拓扑分子极性表面积 43.4
国际标准相关数据
EINECS MFCD00021119
海关数据
海关编码 2937290090
海关数据

中国海关编码:

2937290090
合成路线

合成路线:1 步

反应条件:
参考文献:
Lipase-catalyzed preparation of biologically active esters of dehydroepiandrosterone
Bruttomesso, Andrea C.; et al, Biocatalysis and Biotransformation, 2004, 22(3), 215-220

合成路线:1 步

反应条件:
参考文献:
1,3-dibromo-5,5-dimethylhydantoin as a precatalyst for activation of carbonyl functionality
Cebular, Klara; et al, Molecules, 2019, 24(14),

合成路线:1 步

反应条件:
参考文献:
Development of a Chemoenzymatic Process for Dehydroepiandrosterone Acetate Synthesis
Fryszkowska, Anna; et al, Organic Process Research & Development, 2016, 20(8), 1520-1528

合成路线:1 步

反应条件:
参考文献:
From the Studies of Hydration and Hydrolysis Reactions to the Discovery of a New Organocatalyst and Its Further Applications in Acetalization and Glycosylation
Yuan, Wenjiao; et al, Asian Journal of Organic Chemistry, 2017, 6(10), 1428-1439

合成路线:1 步

反应条件:
参考文献:
Novel dehydroepiandrosterone benzimidazolyl derivatives as 5α-reductase isozymes inhibitors
Arellano, Yazmin; et al, Journal of Enzyme Inhibition and Medicinal Chemistry, 2016, 31(6), 908-914

合成路线:1 步

反应条件:
参考文献:
Regioselective and Stereospecific Copper-Catalyzed Deoxygenation of Epoxides to Alkenes
Yu, Jingxun; et al, Organic Letters, 2016, 18(18), 4734-4737

合成路线:1 步

反应条件:
参考文献:
Synthesis and Characterization of 3β-Substituted Amides of 17a-Aza-D-homo- 4-androsten-17-one as Potent 5α-Reductase Inhibitors and Antimicrobial Agents
Malhotra, Manav; et al, Current Topics in Medicinal Chemistry (Sharjah, 2013, 13(16), 2047-2061

合成路线:1 步

反应条件:
参考文献:
The Beckmann rearrangement of 17-α-hydroxy-20-oxosteroid oximes
Schmidt-Thome, Josef, Justus Liebigs Annalen der Chemie, 1957, 603, 43-5

合成路线:1 步

反应条件:
参考文献:
Cleavage of thioacetals promoted by copper(II) sulfate adsorbed on silica gel
Caballero, Gerardo M.; et al, Journal of Chemical Research, 1989, (10), 320-1

合成路线:1 步

反应条件:
参考文献:
Synthesis process study of 5-androstene-3β-ol-17-one-3-acetate
Shi, Cheng; et al, Shandong Huagong, 2012, 41(1), 17-19

合成路线:1 步

参考文献:
Efficient synthesis of 7-keto-DHEA acetate
Liu, Chun; et al, Yunnan Daxue Xuebao, 2007, 29(5), 504-506

合成路线:1 步

反应条件:
参考文献:
From the Studies of Hydration and Hydrolysis Reactions to the Discovery of a New Organocatalyst and Its Further Applications in Acetalization and Glycosylation
Yuan, Wenjiao; et al, Asian Journal of Organic Chemistry, 2017, 6(10), 1428-1439

合成路线:1 步

反应条件:
参考文献:
A simple method for the fission of semicarbazones
Goldschmidt, St.; et al, Recueil des Travaux Chimiques des Pays-Bas et de la Belgique, 1946, 65, 796-8

合成路线:1 步

反应条件:
参考文献:
Direct, high-yield transformation of tetrahydropyranyl ethers to acetates
Bakos, Tamas; et al, Synthetic Communications, 1989, 19(3-4), 523-8

合成路线:1 步

反应条件:
参考文献:
Cleavage of acetals promoted by copper(II) sulfate adsorbed on silica gel
Caballero, Gerardo M.; et al, Synthetic Communications, 1995, 25(3), 395-404

合成路线:1 步

反应条件:
参考文献:
Reduction of oximes and aliphatic nitro compounds to imines for further in situ reactions: a novel synthesis of pyrroles and pyrrolin-2-ones
Barton, Derek H. R.; et al, Journal of the Chemical Society, 1986, (12), 2243-52
相关文献
专业数据库参考
PubChemId 24864315
参考资料
Beilstein 212-714-1
醋酸去氢表雄酮推荐生产厂家
960化工网为您提供醋酸去氢表雄酮专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:853-23-6,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:853-23-6
平台客服 平台客服

平台在线客服