2',4''-di-O-acetyl-6-O-methylerythromycin A | 152235-55-7

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

2',4''-di-O-acetyl-6-O-methylerythromycin A

英文别名

2',4''-di-O-acetyl-6-O-methylerythromycin；2',4''-diacetyl-6-O-methylerythromycin A；clarithromycin 2',4''-diacetate；2',4''-di-O-acetylclarithromycin；2',4"-di-O-acetyl-6-O-methylerythromycin A；2',4''-O-di-acetyl clarithromycin；2a(2),4a(2)a(2)-Di-O-Acetylclarithromcyin；[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate

2',4''-di-O-acetyl-6-O-methylerythromycin A化学式

CAS

152235-55-7

化学式

C₄₂H₇₃NO₁₅

mdl

——

分子量

832.039

InChiKey

JVBAPADXFIBVOB-MVSYWVQBSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

812.1±65.0 °C(Predicted)
密度：

1.17±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

4.3
重原子数：

58
可旋转键数：

12
环数：

3.0
sp3杂化的碳原子比例：

0.9
拓扑面积：

195
氢给体数：

2
氢受体数：

16

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
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
——	2’-O-acetyl-3-O-decladinosyl-clarithromycin	143353-81-5	C₃₂H₅₇NO₁₁	631.805
——	[(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	C₄₂H₇₁NO₁₄	814.024
——	[(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)-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
——	[(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
——	[(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-15-(2-aminoethyl)-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-8-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate	213330-00-8	C₄₅H₇₇N₃O₁₅	900.117
——	[(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-15-(4-azidobutyl)-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-8-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate	849407-73-4	C₄₇H₇₉N₅O₁₅	954.169
——	4''-O-acetyl-11-amino-11-N-(3-aminopropyl)-11-deoxy-6-O-methylerythromycin A 11,12-cyclic carbamate	208456-43-3	C₄₄H₇₇N₃O₁₄	872.107
——	10,11-anhydro-2',4''-di-O-acetyl-12-O-(imidazol-1-ylcarbonyl)-6-O-methylerythromycin A	217977-00-9	C₄₆H₇₃N₃O₁₅	908.097
——	4''-O-acetyl-11-amino-11-N-(2-aminoethyl)-11-deoxy-6-O-methylerythromycin A 11,12-cyclic carbamate	208456-29-5	C₄₃H₇₅N₃O₁₄	858.08
——	[(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-15-(2-amino-2-methylpropyl)-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-8-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate	374752-09-7	C₄₇H₈₁N₃O₁₅	928.171
——	[(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)-2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-15-(4-azidobutyl)-2-ethyl-6-hydroxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-8-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate	849407-74-5	C₃₇H₆₃N₅O₁₁	753.934
——	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