[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-13-(acetyloxymethyl)-4-[(2R,4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11-pentamethyl-12-methylsulfonyloxy-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate | 484671-56-9

分子结构分类

有机化合物 - 有机氧化合物

中文名称

——

中文别名

——

英文名称

[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-13-(acetyloxymethyl)-4-[(2R,4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11-pentamethyl-12-methylsulfonyloxy-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate

英文别名

——

[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-13-(acetyloxymethyl)-4-[(2R,4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11-pentamethyl-12-methylsulfonyloxy-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate化学式

CAS

484671-56-9

化学式

C₅₅H₈₁NO₁₉S

mdl

——

分子量

1092.31

InChiKey

DGQWLSZOSILAKV-NULGFLSMSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

7.3
重原子数：

76
可旋转键数：

19
环数：

5.0
sp3杂化的碳原子比例：

0.69
拓扑面积：

253
氢给体数：

1
氢受体数：

20

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
——	[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-13-(acetyloxymethyl)-4-[(2R,4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11-pentamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate	484671-55-8	C₅₄H₇₉NO₁₇	1014.22
——	clarithromycin dibenzoate	484670-64-6	C₅₂H₇₇NO₁₅	956.181
——	[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-13-(acetyloxymethyl)-4-[(2R,4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-10,12,13-trihydroxy-7-methoxy-3,5,7,9,11-pentamethyl-2-oxo-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate	484671-54-7	C₅₄H₈₁NO₁₇	1016.23
——	[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-4-[(2R,4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-10,12,13-trihydroxy-13-(hydroxymethyl)-7-methoxy-3,5,7,9,11-pentamethyl-2-oxo-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate	484671-53-6	C₅₂H₇₉NO₁₆	974.196
——	[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-4-[(2R,4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-10,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate	484670-61-3	C₅₂H₇₉NO₁₅	958.197
——	[(2S,3R,4S,6R)-2-[[(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-7-[(2R,4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-10-methoxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-4,14,16-trioxabicyclo[11.3.1]heptadecan-9-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate	484670-63-5	C₅₅H₈₃NO₁₅	998.262
——	[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10S,11S,12R,14R)-4-[(2R,4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-10,12-dihydroxy-7-methoxy-3,5,7,9,11-pentamethyl-13-methylidene-2-oxo-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate	484670-65-7	C₅₂H₇₇NO₁₄	940.182
——	[(2S,3R,4S,6R)-2-[[(1R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-7-[(2R,4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3-ethyl-10-methoxy-6,8,10,12,15,15,17-heptamethyl-2-methylidene-5-oxo-4,14,16-trioxabicyclo[11.3.1]heptadecan-9-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate	484670-62-4	C₅₅H₈₁NO₁₄	980.246
克拉霉素	clarithromycin	81103-11-9	C₃₈H₆₉NO₁₃	747.965

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11E,13R,14R)-13-(acetyloxymethyl)-4-[(2R,4R,5S,6S)-5-benzoyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11-pentamethyl-2,10-dioxo-1-oxacyclotetradec-11-en-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] benzoate	484671-57-0	C₅₄H₇₇NO₁₆	996.202
——	[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11E,13R,14R)-14-ethyl-4,13-dihydroxy-13-(hydroxymethyl)-7-methoxy-3,5,7,9,11-pentamethyl-2,10-dioxo-1-oxacyclotetradec-11-en-6-yl]oxy]-6-methyloxan-3-yl] benzoate	484671-58-1	C₃₇H₅₇NO₁₁	691.86
——	[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,5R,6R,7R,9R,11E,13S,14R)-13-ethenyl-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl]oxy]-6-methyloxan-3-yl] benzoate	484671-60-5	C₃₈H₅₅NO₁₀	685.855
——	[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,5R,6R,7R,9R,11E,13S,14R)-14-ethyl-13-formyl-13-hydroxy-7-methoxy-3,5,7,9,11-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl]oxy]-6-methyloxan-3-yl] benzoate	484671-59-2	C₃₇H₅₃NO₁₁	687.828
——	[(2R,3S,4E,7R,9R,10R,11R,13R)-10-[(2S,3R,4S,6R)-3-benzoyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-3-ethenyl-2-ethyl-9-methoxy-5,7,9,11,13-pentamethyl-6,12,14-trioxo-1-oxacyclotetradec-4-en-3-yl] imidazole-1-carboxylate	484671-61-6	C₄₂H₅₇N₃O₁₁	779.928
——	(3aS,4R,7R,9R,10R,11S,13R,15R,15aR)-4-ethyl-1-[4-(3H-imidazo[4,5-b]pyridin-1-yl)butyl]-11-methoxy-7,9,11,13,15-pentamethyl-2,6,8,14-tetraoxo-3a-vinyltetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl-3,4,6-trideoxy-3-(dimethylamino)-D-xylo-hexopyranoside	——	C₄₂H₆₃N₅O₁₀	797.99
——	(3aS,4R,7R,9R,10R,11S,13R,15R,15aR)-4-ethyl-1-[4-(1H-imidazo[4,5-b]pyridin-1-yl)-4-methylpentyl]-11-methoxy-7,9,11,13,15-pentamethyl-2,6,8,14-tetraoxo-3a-vinyltetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl-3,4,6-trideoxy-3-(dimethylamino)-D-xylo-hexopyranoside	——	C₄₄H₆₇N₅O₁₀	826.043
——	(3aS,4R,7R,9R,10R,11S,13R,15R,15aR)-4-ethyl-11-methoxy-7,9,11,13,15-pentamethyl-1-{4-[4-(6-methylpyridin-3-yl)-1H-imidazol-1-yl]butyl}-2,6,8,14-tetraoxo-3a-vinyltetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl-3,4,6-trideoxy-3-(dimethylamino)-D-xylo-hexopyranoside