methyl 3α-hydroxy-6-oxo-5β-cholanoate | 2862-62-6

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

methyl 3α-hydroxy-6-oxo-5β-cholanoate

英文别名

methyl 3α-hydroxy-6-oxo-5β-cholan-24-oate；6-keto-lithocholic acid methyl ester；3α-ol-6-oxo-5β-24-cholanoic acid methyl ester；methyl 3α-hydroxyl-6-oxo-5β-cholanoate；3α-hydroxy-6-oxo-5β-cholanoic acid-(24)-methyl ester；3α-Hydroxy-6-oxo-5β-cholansaeure-(24)-methylester；methyl (4R)-4-[(3R,5R,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

methyl 3α-hydroxy-6-oxo-5β-cholanoate化学式

CAS

2862-62-6

化学式

C₂₅H₄₀O₄

mdl

——

分子量

404.59

InChiKey

PDEKSQPGUZKWQD-DKCCWMNJSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

133-135 °C
沸点：

505.7±25.0 °C(Predicted)
密度：

1.085±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

5
重原子数：

29
可旋转键数：

5
环数：

4.0
sp3杂化的碳原子比例：

0.92
拓扑面积：

63.6
氢给体数：

1
氢受体数：

4

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
3Α-羟基-6K-5Β-胆甾烷-24-酸	6-Ketolithocholic acid	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
鹅去氧胆酸	chenodeoxycholic acid	474-25-9	C₂₄H₄₀O₄	392.579
猪去氧胆酸	Hyodeoxycholic Acid	83-49-8	C₂₄H₄₀O₄	392.579
猪胆酸	hyocholic acid	547-75-1	C₂₄H₄₀O₅	408.579

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	methyl 3β-hydroxy-6-oxo-5α-cholanoate	116262-85-2	C₂₅H₄₀O₄	404.59
——	methyl 3α-hydroxy-6-oxo-5α-cholan-24-oate	34186-19-1	C₂₅H₄₀O₄	404.59
3Α-羟基-6K-5Β-胆甾烷-24-酸	6-Ketolithocholic acid	10573-17-8	C₂₄H₃₈O₄	390.563
——	3β-hydroxy-6-oxo-5α-cholan-24-oic acid	151851-56-8	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 3β-formyloxy-6-oxo-5β-cholanoate	116206-20-3	C₂₆H₄₀O₅	432.601
——	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
——	methyl 3α-acetoxy-6-oxo-5β-cholanoate	21066-15-9	C₂₇H₄₂O₅	446.627
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
——	methyl 3α,7β-dihydroxy-5β-cholan-6-one-24-oate	118121-22-5	C₂₅H₄₀O₅	420.59
——	methyl 3α,7α-dihydroxy-6-oxo-5β-cholan-24-oate	118121-21-4	C₂₅H₄₀O₅	420.59
——	3α-acetoxy-6-oxo-5α-cholan-24-oic acid	13399-62-7	C₂₆H₄₀O₅	432.601
——	3α-hydroxy-24-nor-5α-chol-22-en-6-one	162547-60-6	C₂₃H₃₆O₂	344.538
(3α,5β,6α)-6-乙基-3-羟基-7-氧-胆烷酸	3α-hydroxy-6α-ethyl-7-keto-5β-cholan-24-oic acid	915038-26-5	C₂₆H₄₂O₄	418.617
——	3,6-diketo-5β-cholan-24-oic acid methyl ester	1175-04-8	C₂₅H₃₈O₄	402.574
——	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
——	methyl 3α-acetoxy-7-oxo-5β-cholan-24-oate	10452-65-0	C₂₇H₄₂O₅	446.627
——	(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