摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

3β-acetoxy-7α-bromo-5α-cholestan-6-one | 39673-19-3

中文名称
——
中文别名
——
英文名称
3β-acetoxy-7α-bromo-5α-cholestan-6-one
英文别名
6-oxo-7α-bromo-5α-cholestan-3β-yl acetate;3β-acetoxy-7α-bromo-5α-cholestane-6-one;3β-acetoxy-7α-bromocholestan-6-one;3β-Acetoxy-7α-brom-5α-cholestan-6-on;7α-Brom-6-oxo-5α-cholestan-3β-ylacetat;3β-Acettoxy-7α-brom-5α-cholestan-6-on;[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-7-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
3β-acetoxy-7α-bromo-5α-cholestan-6-one化学式
CAS
39673-19-3
化学式
C29H47BrO3
mdl
——
分子量
523.594
InChiKey
OQIQFVJQPICULU-SOJVWZAHSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    145 °C
  • 沸点:
    542.5±35.0 °C(Predicted)
  • 密度:
    1.17±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    9.2
  • 重原子数:
    33
  • 可旋转键数:
    7
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.93
  • 拓扑面积:
    43.4
  • 氢给体数:
    0
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Glycol Fission in Rigid Systems. II. The Cholestane-3β,6,7-triols. Existence of a Cyclic Intermediate1
    摘要:
    DOI:
    10.1021/ja01528a055
  • 作为产物:
    描述:
    alkaline earth salt of/the/ methylsulfuric acid 在 氢溴酸溶剂黄146 作用下, 生成 3β-acetoxy-7α-bromo-5α-cholestan-6-one
    参考文献:
    名称:
    Willingness to pay for publicly-financed health care: how should we use the numbers?
    摘要:
    This paper addresses the question of how willingness to pay (WTP) values in health care evaluation can be used by policy makers. The way in which WTP values are used depends on from whom values are elicited and whether the good concerned is privately-financed or publicly-financed through taxation. Thus, four possible uses of WTP values are identified. The focus is on the two uses which arise in the publicly-financed situation. 'Conventional' use of WTP values, where the decision as to whether or not to provide a service depends upon whether or not WTP values are greater than total cost, applies only in the privately-financed, and not publicly-financed situations. The situations with publicly-financed goods are more complex. The use of WTP values for publicly-financed goods is justified and illustrated.
    DOI:
    10.1080/00036840050155940
点击查看最新优质反应信息

文献信息

  • Dehalogenation of α -haloketones and -dibromides with nickel boride
    作者:JC Sarma、M Borbaruah、R.P. Sharma
    DOI:10.1016/s0040-4039(00)98778-1
    日期:1985.1
    α-Haloketones and -dibromides are converted to the corresponding ketones and alkenes respectively with nickel boride generated from sodium borohydride and nickel chloride.
    α-卤代酮和-二化物分别与由硼氢化钠氯化镍生成的硼化镍分别转化为相应的酮和烯烃。
  • Reactions of the enol sulphite of 3β-acetoxy-5β-hydroxycholestan-6-one
    作者:P. E. Georghiou、G. Just
    DOI:10.1039/p19730000070
    日期:——
    Treatment of 3β-acetoxy-5β-hydroxycholestan-6-one (I) with thionyl chloride in pyridine at 0° gave a highly reactive enol sulphite (V), which when chromatographed on aluminium oxide gave 3β-aceloxy-5α,-hydroxy-cholestan-6-one (IVa), 3β-actoxycholest-4-en-6-one (III), and cholesta-2,4-dien-6-one (VI). In 0·1N-hydrochloric acid the enol sulphite gave 3β-acetoxy-5α-hydroxycholestan-6-one, 3β-acetoxycholest-4-en-6-one
    在0°下用亚硫酰氯吡啶中处理3β-乙酰氧基-5β-羟基胆甾醇-6-(I),得到高反应性烯醇亚硫酸盐(V),当在氧化铝上进行色谱分离时,得到3β-乙酰氧基-5α,-羟基- cholestan-6-one(IVa),3β-actoxycholest-4-en-6-one(III)和cholesta-2,4-dien-6-one(VI)。在0·1 N-盐酸中,烯醇亚硫酸盐得到3β-乙酰氧基-5α-羟基胆甾醇-6-,3β-乙酰氧基胆甾醇4-en-6-和3β,7α-二乙酰氧基-5α-胆甾醇-6-。 (VIII)。假定1,3-偶极中间体使这些反应合理化。
  • Synthesis of Steroidal Oxazolidine Thiones in the Cholestane Series
    作者:Mohammad Mushfiq、Thresiamma Manuel、Rakhshanda Rehman
    DOI:10.1081/scc-200034819
    日期:2004.12.31
    Abstract Steroidal α‐epoxides (I, III, and VIII) on reaction with 4‐fluorophenylisothiocyanate give the corresponding oxazolidine thiones (II, V, VI, VII, and XI) along with other products (IV and IX). Characterization of the compounds is based on spectral properties and elemental analysis.
    摘要 甾体α-环氧化物(I、III 和 VIII)与 4-氟苯基异硫氰酸酯反应生成相应的恶唑酮(II、V、VI、VII 和 XI)以及其他产物(IV 和 IX)。化合物的表征基于光谱特性和元素分析。
  • Biosynthesis of 20-hydroxyecdysone in Ajuga hairy roots
    作者:Kiyoshi Ohyama、Tetsuo Kushiro、Kinya Nakamura、Yoshinori Fujimoto
    DOI:10.1016/s0968-0896(99)00243-6
    日期:1999.12
    of 6alpha- and 6beta-hydrogens of lathosterol during the transformation into 20-hydroxyecdysone was chased by feeding [3alpha,6beta-2H2]- and [3alpha,6alpha-2H2]-lathosterols to hairy roots of Ajuga reptans var. atropurpurea. The behavior of 6beta-hydrogen, which mostly migrated to the C-5 position of 20-hydroxyecdysone, was in agreement with that of C-6 hydrogen of cholesterol. The results strongly
    通过将[3alpha,6beta-2H2]-和[3alpha,6alpha-2H2] -lathosterols饲喂到Ajuga reptans var的毛状根中,追寻了谷甾醇转化为20-羟基蜕皮激素期间6alpha-和6beta-氢的命运。阿霉素。大部分迁移到20-羟基蜕皮酮的C-5位置的6beta氢的行为与胆固醇的C-6氢的行为一致。结果强烈支持这样的观点,即胆固醇谷甾醇首先被代谢成7-脱氢胆固醇,然后通过7-脱氢胆固醇5α,6α-环氧在毛发根部转化为20-羟基蜕皮激素
  • Spectral and Stereochemical Studies with Deuterated Cyclohexanes<sup>1</sup>
    作者:E. J. Corey、M. Gertrude Howell、Alma Boston、Richard L. Young、Richard A. Sneen
    DOI:10.1021/ja01600a063
    日期:1956.10
查看更多

同类化合物

(5β)-17,20:20,21-双[亚甲基双(氧基)]孕烷-3-酮 (5α)-2′H-雄甾-2-烯并[3,2-c]吡唑-17-酮 (3β,20S)-4,4,20-三甲基-21-[[[三(异丙基)甲硅烷基]氧基]-孕烷-5-烯-3-醇-d6 (25S)-δ7-大发酸 (20R)-孕烯-4-烯-3,17,20-三醇 (11β,17β)-11-[4-({5-[(4,4,5,5,5-五氟戊基)磺酰基]戊基}氧基)苯基]雌二醇-1,3,5(10)-三烯-3,17-二醇 齐墩果酸衍生物1 黄麻属甙 黄芪皂苷III 黄芪皂苷 II 黄芪甲苷 IV 黄芪甲苷 黄肉楠碱 黄果茄甾醇 黄杨醇碱E 黄姜A 黄夹苷B 黄夹苷 黄夹次甙乙 黄夹次甙乙 黄夹次甙丙 黄体酮环20-(乙烯缩醛) 黄体酮杂质EPL 黄体酮杂质1 黄体酮杂质 黄体酮杂质 黄体酮EP杂质M 黄体酮EP杂质G(RRT≈2.53) 黄体酮EP杂质F 黄体酮6-半琥珀酸酯 黄体酮 17alpha-氢过氧化物 黄体酮 11-半琥珀酸酯 黄体酮 麦角甾醇葡萄糖苷 麦角甾醇氢琥珀酸盐 麦角甾烷-6-酮,2,3-环氧-22,23-二羟基-,(2b,3b,5a,22R,23R,24S)-(9CI) 麦角甾烷-3,6,8,15,16-五唑,28-[[2-O-(2,4-二-O-甲基-b-D-吡喃木糖基)-a-L-呋喃阿拉伯糖基]氧代]-,(3b,5a,6a,15b,16b,24x)-(9CI) 麦角甾烷-26-酸,5,6:24,25-二环氧-14,17,22-三羟基-1-羰基-,d-内酯,(5b,6b,14b,17a,22R,24S,25S)-(9CI) 麦角甾-8-烯-3-醇 麦角甾-8,24(28)-二烯-26-酸,7-羟基-4-甲基-3,11-二羰基-,(4a,5a,7b,25S)- 麦角甾-7,22-二烯-3-酮 麦角甾-7,22-二烯-17-醇-3-酮 麦角甾-5,24-二烯-26-酸,3-(b-D-吡喃葡萄糖氧基)-1,22,27-三羟基-,d-内酯,(1a,3b,22R)- 麦角甾-5,22,25-三烯-3-醇 麦角甾-4,6,8(14),22-四烯-3-酮 麦角甾-1,4-二烯-3-酮,7,24-二(乙酰氧基)-17,22-环氧-16,25-二羟基-,(7a,16b,22R)-(9CI) 麦角固醇 麦冬皂苷D 麦冬皂苷D 麦冬皂苷 B