methyl 3α-hydroxy-6-oxo-5α-cholan-24-oate | 34186-19-1
分子结构分类
中文名称
——
中文别名
——
英文名称
methyl 3α-hydroxy-6-oxo-5α-cholan-24-oate
英文别名
3α-hydroxy-6-oxo-5α-cholanoic acid-(24)-methyl ester；3α-Hydroxy-6-oxo-5α-cholansaeure-(24)-methylester；Methyl 3alpha-hydroxy-6-oxo-5alpha-cholanoate；methyl (4R)-4-[(3R,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
CAS
34186-19-1
化学式
C25H40O4
mdl
——
分子量
404.59
InChiKey
PDEKSQPGUZKWQD-FEWOOJTKSA-N
BEILSTEIN
——
EINECS
——
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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沸点：505.7±25.0 °C(Predicted)
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密度：1.085±0.06 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：5
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重原子数：29
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可旋转键数：5
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环数：4.0
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sp3杂化的碳原子比例：0.92
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拓扑面积：63.6
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氢给体数：1
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氢受体数：4
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 3-Alpha-羟基-6-氧代-5-alpha-24-胆烷酸 5α-cholanic acid-3α-ol-6-one 10573-17-8 C24H38O4 390.563 —— 3,6-diketo-5β-cholan-24-oic acid methyl ester 1175-04-8 C25H38O4 402.574 猪去氧胆酸甲酯 methyl hyodeoxycholate 2868-48-6 C25H42O4 406.606 猪去氧胆酸 Hyodeoxycholic Acid 83-49-8 C24H40O4 392.579 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 3-Alpha-羟基-6-氧代-5-alpha-24-胆烷酸 5α-cholanic acid-3α-ol-6-one 10573-17-8 C24H38O4 390.563 —— methyl 2α, 3α-dihydroxy-6-oxo-5α-cholan-24-oate 96487-81-9 C25H40O5 420.59 —— 2β,3α-dihydroxy-5α-6-keto-cholanoic acid methyl ester 1461716-25-5 C25H40O5 420.59 —— methyl (4R)-4-[(1S,2R,4R,6S,8S,11S,12S,15R,16R)-2,16-dimethyl-9-oxo-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-yl]pentanoate 1461716-24-4 C25H38O4 402.574 3-Alpha-羟基-6-氧代-5-alpha-24-胆烷酸甲酯3-乙酸盐 methyl 3α-acetoxy-6-oxo-5α-cholan-24-oate 2616-79-7 C27H42O5 446.627 —— 3β,7α-dihydroxy-5α-6-keto-cholanoic acid methyl ester 1461716-04-0 C25H40O5 420.59 —— methyl (4R)-4-[(3R,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate 118121-20-3 C25H40O5 420.59 —— 3α-hydroxy-24-nor-5α-chol-22-en-6-one 162547-60-6 C23H36O2 344.538 —— methyl 3,6-dioxo-5α-cholan-24-oate 1175-03-7 C25H38O4 402.574 —— 3α,22(S),23-trihydroxy-24-nor-5α-cholan-6-one 1461716-34-6 C23H38O4 378.552 —— 2β-fluoro-3α-hydroxy-5α-6-keto-cholanoic acid methyl ester 1461716-26-6 C25H39FO4 422.581 —— methyl (4R)-4-[(2S,3S,5S,8S,9S,10R,13R,14S,17R)-2-bromo-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate 1562693-58-6 C25H39BrO4 483.486 —— (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3S)-3,4-dihydroxybutan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 128609-27-8 C23H38O5 394.552 —— 2a,3a-dihydroxy-24-nor-5a-chol-22-en-6-one 1562694-08-9 C23H36O3 360.537 —— 3β-hydroxy-7α-fluoro-5α-6-keto-cholanoic acid methyl ester 1461716-12-0 C25H39FO4 422.581 —— 3α-hydroxy-7α-fluoro-5α-6-keto-cholanoic acid methyl ester 1461716-11-9 C25H39FO4 422.581 —— (3R,5S,7S,8S,9S,10R,13R,14S,17R)-17-[(2S,3S)-3,4-dihydroxybutan-2-yl]-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 1461716-36-8 C23H38O5 394.552 —— methyl (4R)-4-[(3S,5S,8S,9S,10R,13R,14S,17R)-3-chloro-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate 1562693-37-1 C25H39ClO3 423.036 —— 3β-fluoro-5α-6-keto-cholanoic acid methyl ester 1461716-07-3 C25H39FO3 406.581 —— (3S,5S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-but-3-en-2-yl]-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 1461716-18-6 C23H36O3 360.537 —— (3R,5S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-but-3-en-2-yl]-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 1461716-16-4 C23H36O3 360.537 —— methyl (4R)-4-[(3S,5S,8S,9S,10R,13R,14S,17R)-3-bromo-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate 1562693-43-9 C25H39BrO3 467.487 —— methyl (4R)-4-[(2S,3S,5S,7S,8S,9S,10R,13R,14S,17R)-2-fluoro-3,7-dihydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate 1562693-75-7 C25H39FO5 438.58 —— methyl (4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3-fluoro-7-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate 1461716-09-5 C25H39FO4 422.581 —— methyl (4R)-4-[(2R,3S,5S,7S,8S,9S,10R,13R,14S,17R)-7-fluoro-2,3-dihydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate 1562694-05-6 C25H39FO5 438.58 —— 2β,3α-dihydroxy-7α-fluoro-5α-6-keto-cholanoic acid methyl ester 1461716-28-8 C25H39FO5 438.58 —— 2β,7α-difluoro-3α-hydroxy-5α-6-keto-cholanoic acid methyl ester 1461716-29-9 C25H38F2O4 440.571 —— methyl (4R)-4-[(1S,2R,4R,6S,8S,10S,11S,12S,15R,16R)-10-fluoro-2,16-dimethyl-9-oxo-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-yl]pentanoate