(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-二甲基氨基-3-羟基-6-甲基四氢吡喃-2-基]氧基-14-乙基-10,12,13-三羟基-4-[(2R,4R,5S,6S)-5-羟基-4-甲氧基-4,6-二甲基四氢吡喃-2-基]氧基-7-甲氧基-3,5,7,9,11,13-六甲基-1-氧杂环十四烷-2-酮 | 131791-18-9

分子结构分类

有机化合物 - 有机氧化合物

中文名称

(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-二甲基氨基-3-羟基-6-甲基四氢吡喃-2-基]氧基-14-乙基-10,12,13-三羟基-4-[(2R,4R,5S,6S)-5-羟基-4-甲氧基-4,6-二甲基四氢吡喃-2-基]氧基-7-甲氧基-3,5,7,9,11,13-六甲基-1-氧杂环十四烷-2-酮

中文别名

——

英文名称

9-dihydro-6-O-methylerythromycin A

英文别名

9-Dihydroclarithromycin；(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-10,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-二甲基氨基-3-羟基-6-甲基四氢吡喃-2-基]氧基-14-乙基-10,12,13-三羟基-4-[(2R,4R,5S,6S)-5-羟基-4-甲氧基-4,6-二甲基四氢吡喃-2-基]氧基-7-甲氧基-3,5,7,9,11,13-六甲基-1-氧杂环十四烷-2-酮化学式

CAS

131791-18-9

化学式

C₃₈H₇₁NO₁₃

mdl

——

分子量

749.981

InChiKey

JWASSTNIBKXPNV-SZZIPPHSSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

806.5±65.0 °C(Predicted)
密度：

1.18±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.3
重原子数：

52
可旋转键数：

8
环数：

3.0
sp3杂化的碳原子比例：

0.97
拓扑面积：

186
氢给体数：

5
氢受体数：

14

SDS

SDS：48c90f8f02848cbe5d97b86c0b1d2726

查看

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
——	(6R,7S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-1-oxa-4-azacyclopentadecan-15-one	497831-47-7	C₃₆H₆₈N₂O₁₁	704.943
——	(6R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-1-oxa-4-azacyclopentadecane-7,15-dione	497832-18-5	C₃₆H₆₆N₂O₁₁	702.927
——	(2R,6R,7S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-2-(phenoxymethyl)-1-oxa-4-azacyclopentadecan-15-one	497834-83-0	C₄₃H₇₄N₂O₁₂	811.067
——	(2R,6R,7S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-2-(phenylmethoxymethyl)-1-oxa-4-azacyclopentadecan-15-one	497831-57-9	C₄₄H₇₆N₂O₁₂	825.094
——	(2S,6R,7S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-2-(phenylmethoxymethyl)-1-oxa-4-azacyclopentadecan-15-one	497831-56-8	C₄₄H₇₆N₂O₁₂	825.094
——	(2S,6R,7S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-2-(2-phenylmethoxyethyl)-1-oxa-4-azacyclopentadecan-15-one	497834-84-1	C₄₅H₇₈N₂O₁₂	839.121
——	(3S,6R,7S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-3-(2-phenylmethoxyethyl)-1-oxa-4-azacyclopentadecan-15-one	497831-50-2	C₄₅H₇₈N₂O₁₂	839.121
——	(3R,6R,7S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-3-(phenylmethoxymethyl)-1-oxa-4-azacyclopentadecan-15-one	497831-49-9	C₄₄H₇₆N₂O₁₂	825.094
——	(3S,6R,7S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-3-(phenylmethoxymethyl)-1-oxa-4-azacyclopentadecan-15-one	497831-48-8	C₄₄H₇₆N₂O₁₂	825.094
——	(2R,6R,7S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-2-[(4-phenylphenoxy)methyl]-1-oxa-4-azacyclopentadecan-15-one	497831-69-3	C₄₉H₇₈N₂O₁₂	887.165
——	(2R,6R,7S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-2-[(3-phenylphenoxy)methyl]-1-oxa-4-azacyclopentadecan-15-one	497831-75-1	C₄₉H₇₈N₂O₁₂	887.165
——	(2R,6R,7S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-2-[(4-pyridin-3-ylphenoxy)methyl]-1-oxa-4-azacyclopentadecan-15-one	1401530-40-2	C₄₈H₇₇N₃O₁₂	888.152
——	(2R,6R,7S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-2-[(4-pyridin-2-ylphenoxy)methyl]-1-oxa-4-azacyclopentadecan-15-one	1401530-41-3	C₄₈H₇₇N₃O₁₂	888.152
——	(2R,6R,7S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-4,6,8,10,12,14-hexamethyl-2-[(2-phenylphenoxy)methyl]-1-oxa-4-azacyclopentadecan-15-one	497831-74-0	C₄₉H₇₈N₂O₁₂	887.165