[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11E,13S,14R)-4-[(2R,4R,5S,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-11-en-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate | 438046-02-7

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,11E,13S,14R)-4-[(2R,4R,5S,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-11-en-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate

英文别名

——

[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11E,13S,14R)-4-[(2R,4R,5S,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-11-en-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate化学式

CAS

438046-02-7

化学式

C₄₂H₇₁NO₁₄

mdl

——

分子量

814.024

InChiKey

CGHDDOJTLUYPGI-WXMKQUNSSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

809.7±65.0 °C(Predicted)
密度：

1.16±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

辛醇/水分配系数(LogP)：

5.1
重原子数：

57
可旋转键数：

12
环数：

3.0
sp3杂化的碳原子比例：

0.86
拓扑面积：

175
氢给体数：

1
氢受体数：

15

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
——	2',4''-di-O-acetyl-6-O-methylerythromycin A	152235-55-7	C₄₂H₇₃NO₁₅	832.039
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
——	[(2R,3S,4E,7R,9R,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-12-[(2R,4R,5S,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2-ethyl-9-methoxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradec-4-en-3-yl] 2-chloroacetate	438046-13-0	C₄₄H₇₂ClNO₁₅	890.506
——	[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10S,11E,13S,14R)-4-[(2R,4R,5S,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-10,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-1-oxacyclotetradec-11-en-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate	638198-89-7	C₄₂H₇₃NO₁₄	816.04
——	[(2R,3S,4E,7R,9R,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-12-[(2R,4R,5S,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2-ethyl-9-methoxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradec-4-en-3-yl] 2-[(4-methoxyphenyl)methylsulfanyl]acetate	1006612-31-2	C₅₂H₈₁NO₁₆S	1008.28
——	10,11-anhydro-2',4''-di-O-acetyl-12-O-(imidazol-1-ylcarbonyl)-6-O-methylerythromycin A	217977-00-9	C₄₆H₇₃N₃O₁₅	908.097
——	[(2R,3S,4E,7R,9R,10R,11S,12S,13R)-12-[(2R,4R,5S,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-acetyloxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-2-ethyl-9-methoxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradec-4-en-3-yl] imidazole-1-carboxylate	1266348-00-8	C₄₅H₇₁N₃O₁₅	894.07
——	acetic acid 2-[4-(5-acetoxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-13-(2-nitro-phenoxy)-2,10-dioxo-oxacyclotetradec-11-en-6-yloxy]-4-dimethylamino-6-methyl-tetrahydro-pyran-3-yl ester	850146-56-4	C₄₈H₇₄N₂O₁₆	935.119
——	[(2R,3S,4E,7R,9R,10R,11S,12S,13R)-12-[(2R,4R,5S,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-acetyloxy-6-methyl-4-[methyl(morpholine-4-carbonyl)amino]oxan-2-yl]oxy-2-ethyl-9-methoxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradec-4-en-3-yl] imidazole-1-carboxylate	1266348-01-9	C₅₀H₇₈N₄O₁₇	1007.19
——	[(2S,3R,4S,6R)-2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-6-[(2R,4R,5S,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2-ethyl-9-methoxy-15-[(4-methoxyphenyl)methylsulfanyl]-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-8-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate	1006612-32-3	C₅₂H₈₁NO₁₆S	1008.28
——	(2S,3R,4S,6R)-4-(((benzyloxy)carbonyl)(methyl)amino)-2-(((1S,2R,3R,6R,7S,8S,9R,10R,12R,14R)-3-ethyl-2,7-dihydroxy-10-methoxy-2,6,8,10,12,14-hexamethyl-5,13-dioxo-4,15-dioxabicyclo[12.1.0]pentadecan-9-yl)oxy)-6-methyltetrahydro-2H-pyran-3-yl acetate	1428676-60-1	C₃₉H₅₉NO₁₃	749.896
——	[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-2-ethyl-18-formyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12-dioxo-3,22-dioxa-15-azatricyclo[12.8.0.016,21]docosa-16(21),17,19-trien-8-yl]oxy]-6-methyloxan-3-yl] acetate	850146-59-7	C₃₉H₆₀N₂O₁₁	732.912