benzyl cholate | 105730-97-0

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

benzyl cholate

英文别名

benzyl 3α,7α,12α-trihydroxy-5β-cholan-24-oate；benzyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

CAS

105730-97-0

化学式

C₃₁H₄₆O₅

mdl

——

分子量

498.703

InChiKey

FPYOLKTYFHLRKO-WTZIRUNOSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

621.7±55.0 °C(Predicted)
密度：

1.157±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

5.4
重原子数：

36
可旋转键数：

7
环数：

5.0
sp3杂化的碳原子比例：

0.77
拓扑面积：

87
氢给体数：

3
氢受体数：

5

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
胆酸	cholate	81-25-4	C₂₄H₄₀O₅	408.579

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	Benzyl 3α-acetoxy-7α,12α-dihydroxy-5β-cholate	1323923-41-6	C₃₃H₄₈O₆	540.741
——	(3β,5β,7α,12α)-3-amino-7,12-dihydroxycholan-24-oic acid phenyl methyl ester	204063-16-1	C₃₁H₄₇NO₄	497.718
——	benzyl 3α-hexadecanoyloxy-7α,12α-dihydroxy-5β-cholate	1323923-86-9	C₄₇H₇₆O₆	737.117
——	benzyl 3α-butanoyloxy-7α,12α-dihydroxy-5α-cholate	1323923-39-2	C₃₅H₅₂O₆	568.794
——	benzyl 3α-decanoyloxy-7α,12α-dihydroxy-5β-cholate	1323923-49-4	C₄₁H₆₄O₆	652.956
——	benzyl 3α,7α-bis(decanoyloxy)-12α-hydroxy-5β-cholate	1323923-53-0	C₅₁H₈₂O₇	807.208
——	benzyl 3α,7α,12α-tris(hexadecanoyloxy)-5β-cholate	1323923-94-9	C₇₉H₁₃₆O₈	1213.94
——	benzyl 3α,7α,12α-tris(butanoyloxy)-5β-cholate	1323923-46-1	C₄₃H₆₄O₈	708.976
——	benzyl 3α,7α,12α-tris(decanoyloxy)-5β-cholate	1323923-75-6	C₆₁H₁₀₀O₈	961.46
——	benzyl 3α-acetoxy-7α,12α-bis(hexadecanoyloxy)-5β-cholate	1323923-89-2	C₆₅H₁₀₈O₈	1017.57
——	benzyl 3α-acetoxy-7α,12α-bis(decanoyloxy)-5β-cholate	1323923-74-5	C₅₃H₈₄O₈	849.245
——	benzyl 3α-acetoxy-7α,12α-bis(butanoyloxy)-5β-cholate	1323923-43-8	C₄₁H₆₀O₈	680.923
——	benzyl 3α-benzyloxycarboxy-7α,12α-dihydroxy-5β-cholan-24-oate	1323923-68-7	C₃₉H₅₂O₇	632.838
——	benzyl 3α-{3-[2-(2-decanoyloxyethoxy)ethoxycarbonyl]propanoyloxy}-7α,12α-dihydroxy-5β-cholan-24-oate	1430196-58-9	C₄₉H₇₆O₁₁	841.136
——	benzyl 3-O-(2-chloroethylaminocarbonyl) cholate	111992-74-6	C₃₄H₅₀ClNO₆	604.227
——	benzyl 3α-{3-[2-(2-benzyloxyethoxy)ethoxycarbonyl]propanoyloxy}-7α,12α-dihydroxy-5β-cholan-24-oate	1430196-52-3	C₄₆H₆₄O₁₀	777.008
——	dibenzyl 3α,3'α-(terephthaloyloxy)bis(7α,12α-dihydroxy-5β-cholan-24-oate)	1213263-25-2	C₇₀H₉₄O₁₂	1127.51
——	benzyl 3α,7α,12α-tris{3-[2-(2-decanoyloxyethoxy)ethoxycarbonyl]propanoyloxy}-5β-cholan-24-oate	1430196-62-5	C₈₅H₁₃₆O₂₃	1526.0
——	benzyl 3α-isonicotinoyloxy-7α,12α-dihydroxycholanate	1072134-76-9	C₃₇H₄₉NO₆	603.799
——	benzyl 3α-{3-[2,3-bis(decanoyloxy)propyloxycarbonyl]propanoyloxy}-7α,12α-dihydroxy-5β-cholan-24-oate	1430196-64-7	C₅₈H₉₂O₁₂	981.361
——	benzyl 3α-benzyloxycarboxy-7α,12α-bis(decanoyloxy)-5β-cholate	1323923-70-1	C₅₉H₈₈O₉	941.342
——	Benzyl 3-O-[bis(2-chloroethyl)aminocarbonyl] cholate	112006-35-6	C₃₆H₅₃Cl₂NO₆	666.726
——	dibenzyl 3α,3'α-(isophthaloyloxy)bis(7α,12α-dihydroxy-5β-cholan-24-oate)	1213263-24-1	C₇₀H₉₄O₁₂	1127.51
——	benzyl 3-O-[bis(2-bromoethyl)aminocarbonyl] cholate	111992-79-1	C₃₆H₅₃Br₂NO₆	755.628
——	benzyl 3α,7α,12α-tris{3-[2,3-bis(decanoyloxy)propyloxycarbonyl]propanoyloxy}-5β-cholan-24-oate	1430222-71-1	C₁₁₂H₁₈₄O₂₆	1946.68
——	(R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Tris-(4-tert-butoxycarbonylamino-butyryloxy)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentanoic acid benzyl ester	302784-50-5	C₅₈H₉₁N₃O₁₄	1054.37
——	(R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Tris-(3-tert-butoxycarbonylamino-propionyloxy)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentanoic acid benzyl ester	302784-49-2	C₅₅H₈₅N₃O₁₄