(3beta)-3-O-叔-丁基二甲基硅烷基-胆甾-5-烯-3,24-二醇 | 84529-86-2

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

(3beta)-3-O-叔-丁基二甲基硅烷基-胆甾-5-烯-3,24-二醇

中文别名

——

英文名称

3β-(tert-butyldimethylsilyloxy)chol-5-en-24-ol

英文别名

(20R)-3β-(tert-butyldimethylsilyloxy)-24-hydroxy-25,26,27-trisnorcholest-5-ene；(20R)-3β-(tert-butyldimethylsilyloxy)chol-5-en-24-ol；(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-1-ol

(3beta)-3-O-叔-丁基二甲基硅烷基-胆甾-5-烯-3,24-二醇化学式

CAS

84529-86-2

化学式

C₃₀H₅₄O₂Si

mdl

——

分子量

474.843

InChiKey

YORJZEWEGWVASD-NXUCFJMCSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

166-168°C
沸点：

517.1±33.0 °C(Predicted)
密度：

0.98±0.1 g/cm3(Predicted)
溶解度：

氯仿（微溶）、乙酸乙酯（微溶、超声处理）

计算性质

辛醇/水分配系数(LogP)：

8.36
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：

29.5
氢给体数：

1
氢受体数：

2

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
——	3β-(ter-butyldimethylsilyloxy)chol-5-en-24-al	84529-74-8	C₃₀H₅₂O₂Si	472.827
——	(R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-pentanoic acid	897364-87-3	C₃₀H₅₂O₃Si	488.827
(3beta)-3-(叔-丁基二甲基硅烷基)氧基-胆-5-烯-24-酸甲酯	methyl 3β-tert-butyldimethylsilylose-5-cholen-24-oate	114011-35-7	C₃₁H₅₄O₃Si	502.853
——	ethyl (20R)-3β-(tert-butyldimethylsilyloxy)chol-5-en-24-oate	1384736-04-2	C₃₂H₅₆O₃Si	516.88
3B-羟基-D5-胆烯酸	3β-hydroxy-5-cholenoic acid	5255-17-4	C₂₄H₃₈O₃	374.564
(3b)-3-羟基-胆-5-烯-24-酸甲酯	methyl 5-cholenoate	20231-57-6	C₂₅H₄₀O₃	388.591

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(20R)-3β-(tert-butyldimethylsilyloxy)-27-norcholest-5-en-25-ol	142732-73-8	C₃₂H₅₈O₂Si	502.897
——	(20R)-3β-(tert-butyldimethylsilyloxy)-27-norcholesta-5,25-diene	1384736-16-6	C₃₂H₅₆OSi	484.882
——	2-{(R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-pentyl}-propane-1,3-diol	158550-02-8	C₃₃H₆₀O₃Si	532.923
(3beta)-3-[[(1,1-二甲基乙基)二甲基硅烷基]氧基]-26,27-二去甲胆甾-5-烯-25-腈	(20R)-3β-(tert-butyldimethylsilyloxy)-24-cyanochol-5-ene	1384736-11-1	C₃₁H₅₃NOSi	483.853
——	(20R)-3β-(tert-butyldimethylsilyloxy)-24-oxomethylchol-5-ene	1384736-13-3	C₃₁H₅₄O₂Si	486.854
——	tert-Butyl-[(3S,8S,9S,10R,13R,14S,17R)-17-((R)-4-iodo-1-methyl-butyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy]-dimethyl-silane	158549-90-7	C₃₀H₅₃IOSi	584.74
——	3β-(ter-butyldimethylsilyloxy)chol-5-en-24-al	84529-74-8	C₃₀H₅₂O₂Si	472.827
(3beta)-24-溴-3-[(叔-丁基)二甲基硅烷基氧基]-胆-5-烯	(20R)-3β-(tert-butyldimethylsilyloxy)-24-bromochol-5-ene	1384736-07-5	C₃₀H₅₃BrOSi	537.74
——	(R)-8-[(3S,8S,9S,10R,13R,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-bis-hydroxymethyl-nonan-1-ol	158549-94-1	C₃₆H₆₆O₄Si	591.003
——	(20R)-3β-(tert-butyldimethylsilyloxy)-24-(acetylthio)chol-5-ene	1384736-09-7	C₃₂H₅₆O₂SSi	532.947
——	Methanesulfonic acid (R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-(tert-butyl-dimethyl-silanyloxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-pentyl ester	158549-89-4	C₃₁H₅₆O₄SSi	552.935
——	ethyl (24Z)-3β-(tert-butyldimethylsilyloxy)cholesta-5,24-dien-26-oate	1452773-05-5	C₃₅H₆₀O₃Si	556.945
——	ethyl (24E)-3β-(tert-butyldimethylsilyloxy)cholesta-5,24-dien-26-oate	1452773-04-4	C₃₅H₆₀O₃Si	556.945
——	[(6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-yl] methanesulfonate	142732-75-0	C₃₃H₆₀O₄SSi	580.989
——	2-{(R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-pentyl}-malonic acid diethyl ester	158550-00-6	C₃₇H₆₄O₅Si	616.998
——	(R)-4-tert-Butoxycarbonyl-8-[(3S,8S,9S,10R,13R,14S,17R)-3-(tert-butyl-dimethyl-silanyloxy)-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-ethoxycarbonyl-nonanoic acid ethyl ester	158549-92-9	C₄₄H₇₆O₇Si	745.169
——	(R)-4-((3S,8S,9S,10R,13R,14S,17R)-3-((tert-butyldimethylsilyl)oxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentyl 4-methylbenzenesulfonate	1427795-18-3	C₃₇H₆₀O₄SSi	629.033
——	(24Z)-26-hydroxydesmosterol	1445473-37-9	C₂₇H₄₄O₂	400.645
——	(24E)-3β,26-dihydroxycholesta-5,24-diene	69343-07-3	C₂₇H₄₄O₂	400.645
——	(20R)-25-bromo-27-norcholest-5-en-3β-ol	86797-86-6	C₂₆H₄₃BrO	451.531
——	ethyl (24Z)-3β-hydroxycholesta-5,24-dien-26-oate	1452773-07-7	C₂₉H₄₆O₃	442.682
——	ethyl (24E)-3β-hydroxycholesta-5,24-dien-26-oate	1452773-06-6	C₂₉H₄₆O₃	442.682
——	2-(((bis(2-chloroethyl)carbamoyl)oxy)methyl)-4-((R)-4-((3S,8S,9S,10R,13R,14S,17R)-3-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)pentyl)pentane-1,5-diyl bis(bis(2-chloroethyl)carbamate)	169142-60-3	C₄₅H₇₃Cl₆N₃O₇	980.809