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3β,21-Diacetoxy-16α,17α-epoxypregn-5-en-20-one | 21853-84-9

分子结构分类

有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物

中文名称

——

中文别名

——

英文名称

3β,21-Diacetoxy-16α,17α-epoxypregn-5-en-20-one

英文别名

3,21-diacetoxy-16α,17α-epoxypregn-5-en-20-one；3β,21-Diacetoxy-16α,17-epoxy-5-pregnen-20-on；3β,21-diacetoxy-16α,17-epoxy-pregn-5-en-20-one；3β,21-Diacetoxy-16α,17-epoxy-pregn-5-en-20-on；16alpha,17alpha-Epoxy-20-oxopregn-5-ene-3beta,21-diyl diacetate；[2-[(1R,2S,4R,6S,7S,10S,11R,14S)-14-acetyloxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl]-2-oxoethyl] acetate

3β,21-Diacetoxy-16α,17α-epoxypregn-5-en-20-one化学式

CAS

21853-84-9

化学式

C₂₅H₃₄O₆

mdl

——

分子量

430.541

InChiKey

NXUKBSFOBDNZBG-YGHLUOAHSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

170-175 °C
沸点：

524.2±50.0 °C(Predicted)
密度：

1.22±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.4
重原子数：

31
可旋转键数：

6
环数：

5.0
sp3杂化的碳原子比例：

0.8
拓扑面积：

82.2
氢给体数：

0
氢受体数：

6

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
16,17-环氧孕烯醇酮醋酸酯	Acetic acid (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-20-oxa-cyclopropa[16,17]cyclopenta[a]phenanthren-3-yl ester	34209-81-9	C₂₃H₃₂O₄	372.505
16,17-环氧孕烯醇酮	3β-hydroxy-16α,17α-epoxypregn-5-en-20-one	974-23-2	C₂₁H₃₀O₃	330.467
——	20,20-dimethoxy-16α,17α-epoxypregn-5-ene-3β,21-diol-20-one	98149-19-0	C₂₃H₃₆O₅	392.536

下游产品

中文名称	英文名称	CAS号	化学式	分子量
16,17-环氧孕烯醇酮醋酸酯	Acetic acid (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-20-oxa-cyclopropa[16,17]cyclopenta[a]phenanthren-3-yl ester	34209-81-9	C₂₃H₃₂O₄	372.505
——	3β,16α,21-triacetoxy-17-hydroxy-pregn-5-en-20-one	14697-32-6	C₂₇H₃₈O₈	490.594
——	17α-Hydroxy-3β,16β,21-triacetoxy-20-oxo-Δ⁵-pregnen	119248-92-9	C₂₇H₃₈O₈	490.594
——	2-((3S,8S,9S,10R,13S,14S,16R,17R)-3-acetoxy-16-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate	147292-03-3	C₂₅H₃₆O₆	432.557
——	3β,21-diacetoxy-16β-bromo-17-hydroxy-pregn-5-en-20-one	2349-32-8	C₂₅H₃₅BrO₆	511.453
——	3β,21-diacetoxy-17-hydroxy-16β-iodo-pregn-5-en-20-one	42995-87-9	C₂₅H₃₅IO₆	558.454
——	(20R)-3β,20-Diacetoxy-17α-pregn-5-en-21,16α-carbolacton	77031-70-0	C₂₅H₃₄O₆	430.541
——	(20R)-3β-Acetoxy-20-hydroxy-17α-pregn-5-en-21,16α-carbolacton	77017-03-9	C₂₃H₃₂O₅	388.504
——	3β-Acetoxy-17α-pregn-5-en-21,16α-carbolacton	77017-10-8	C₂₃H₃₂O₄	372.505
——	3β,16α,20αF,21-tetraacetoxy-pregn-5-ene	115209-22-8	C₂₉H₄₂O₈	518.648
——	3β,21-Diacetoxy-16α,17α-epoxypregn-5-en-20-one 20-carbethoxyhydrazone	118346-97-7	C₂₈H₄₀N₂O₇	516.635
——	(20R)-3β,20-Dihydroxy-17α-pregn-5-en-21,16α-carbolacton	77017-04-0	C₂₁H₃₀O₄	346.467
——	(20R)-3β,11α,20-Trihydroxy-17α-pregn-5-en-21,16α-carbolacton	77017-19-7	C₂₁H₃₀O₅	362.466
——	3β-Hydroxy-17α-pregn-5-en-21,16α-carbolacton	77017-11-9	C₂₁H₃₀O₃	330.467
——	3,20-Dioxo-17α-pregn-4-en-21,16α-carbolacton	77017-15-3	C₂₁H₂₆O₄	342.435
——	(20R)-3β-Acetoxy-20-brom-17α-pregn-5-en-21,16α-carbolacton	77017-07-3	C₂₃H₃₁BrO₄	451.401
——	(20R)-20-Acetoxy-3-oxo-17α-pregn-4-en-21,16α-carbolacton	77017-13-1	C₂₃H₃₀O₅	386.488
——	(20R)-3β-Acetoxy-20-chlor-17α-pregn-5-en-21,16α-carbolacton	77017-09-5	C₂₃H₃₁ClO₄	406.95
——	(20R)-3β-Acetoxy-20-mesyloxy-17α-pregn-5-en-21,16α-carbolacton	77017-05-1	C₂₄H₃₄O₇S	466.596
——	(20R)-20-Hydroxy-3-oxo-17α-pregn-4-en-21,16α-carbolacton	77017-12-0	C₂₁H₂₈O₄	344.451
——	3-Oxo-17α-pregn-4-en-21,16α-carbolacton	77017-14-2	C₂₁H₂₈O₃	328.452
——	3β-Acetoxy-5,17(20)-pregnadien-21,16α-carbolacton	77017-08-4	C₂₃H₃₀O₄	370.489
——	(20R)-3β-Acetoxy-20-tosyloxy-17α-pregn-5-en-21,16α-carbolacton	77017-06-2	C₃₀H₃₈O₇S	542.694
——	3β,16α,21-Triacetoxypregn-5-ene-17α-thiol-20-one 20-carbethoxyhydrazone	119004-98-7	C₃₀H₄₄N₂O₈S	592.754

反应信息

作为反应物：

描述：

3β,21-Diacetoxy-16α,17α-epoxypregn-5-en-20-one 在氢溴酸、对甲苯磺酸作用下，生成 3β,16α,21-triacetoxy-17-hydroxy-pregn-5-en-20-one

参考文献：

名称：

Some Experiments with 16β-Bromo-17α-acetoxy-20-keto Steroids. Synthesis of 16α-17α-Dihydroxy-steroids and Related Compounds¹

摘要：

DOI：

10.1021/jo01114a022
作为产物：

描述：

16,17-环氧孕烯醇酮在氢氧化钾、碘苯二乙酸、对甲苯磺酸作用下，以吡啶、丙酮为溶剂，反应 76.0h，生成 3β,21-Diacetoxy-16α,17α-epoxypregn-5-en-20-one

参考文献：

名称：

Transformed steroids

摘要：

DOI：

10.1007/bf00954622

点击查看最新优质反应信息

文献信息

Sonochemical reduction of α, β-epoxy ketones and α′-oxygenated analogs by aluminium amalgam

作者：M.J.S. Miranda Moreno、M.L. Sa´ e Melo、A.S. Campos Neves

DOI：10.1016/s0040-4039(00)60586-5

日期：1993.1

The sonochemical reductive opening of α, β-epoxy ketones and their α′-oxygenated (-OH or -OAc) analogs by aluminium amalgam allows shorter reaction times, better yields of the respective β-hydroxy ketones and minimization of by-products. The rates of these reactions are affected by the intensity of the acoustic waves and by temperature.

铝汞合金对α，β-环氧酮及其α'-加氧的（-OH或-OAc）类似物进行声化学还原打开可缩短反应时间，更好地提高各个β-羟基酮的收率，并将副产物减至最少。这些反应的速率受声波强度和温度的影响。
α-Iodoketones (Part 3).1 Synthesis of 21-Iodo-Δ16-20-keto Steroids by the N-Iodosuccinimide-Enol Acetate Reaction2

作者：Carl Djerassi、Carl T. Lenk

DOI：10.1021/ja01636a002

日期：1954.4
Sterols. XI. 17α-Hydroxy-11-desoxycorticosterone (Reichstein's Substance S)

作者：Percy L. Julian、Edwin W. Meyer、William J. Karpel、Isabelle Ryden Waller

DOI：10.1021/ja01167a094

日期：1950.11
Salvador, Jorge A.R.; Hanson, James R., Journal of Chemical Research - Part S, 2002, # 11, p. 576 - 578

作者：Salvador, Jorge A.R.、Hanson, James R.

DOI：——

日期：——
Heussler; Wettstein, Chemische Berichte, 1954, vol. 87, p. 1301,1308

作者：Heussler、Wettstein

DOI：——

日期：——