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红霉素C | 1675-02-1

红霉素C结构式图片|1675-02-1结构式图片
红霉素C
Erythromycin,3''-O-demethyl-
1675-02-1
C36H65NO13
719.9002
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:红霉素C结构式
83933
红霉素C价格
名称和标识符
InChIKey MWFRKHPRXPSWNT-VACSZJCDSA-N
Inchi InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/t17-,18?,19+,20+,21-,22?,23?,24-,25?,27?,28+,29-,30?,31-,33?,34?,35-,36-/m1/s1
SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2OC(C)C(O)C(C)(O)C2)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
别名信息
- 中文别名 -
  • (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-4-[(2S,4R,5S,6S)-4,5-二羟基-4,6-二甲基-四氢吡喃-2-基]氧基-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-7,12,13-三羟基-3,5,7,9,11,13-六甲基
  • 红霉素C
- 英文别名 -
  • Erythromycin,3''-O-demethyl-
  • (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-4-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6 -dimethyl-oxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-m ethyl-oxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11
  • ERYTHROMYCIN C
  • Erythromycin C DISCONTINUED
  • 3-O-DEMETHYLERYTHROMYCIN
  • 3'-O-Demethylerythromycin
  • 3"-O-DeMethylerythroMycin A
  • (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-4-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6 -dimethyl-oxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-m ethyl-oxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexameth yl-1-oxacyclotetradecane-2,10-dione
  • 1675-02-1
  • 1675-02-1
  • 1675-02-1
  • 1675-02-1
  • 1675-02-1
  • Erythromycin, 3''-O-demethyl-
  • Erythromycin, 3''-O-demethyl-
  • Erythromycin, 3''-O-demethyl-
  • Erythromycin, 3''-O-demethyl-
  • Erythromycin, 3''-O-demethyl-
  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
  • SCHEMBL1348180
  • SCHEMBL1348180
  • SCHEMBL1348180
  • SCHEMBL1348180
  • SCHEMBL1348180
  • CHEBI:64273
  • CHEBI:64273
  • CHEBI:64273
  • CHEBI:64273
  • CHEBI:64273
  • HY-125546
  • HY-125546
  • HY-125546
  • HY-125546
  • HY-125546
  • NS00011670
  • NS00011670
  • NS00011670
  • NS00011670
  • NS00011670
  • C06616
  • C06616
  • C06616
  • C06616
  • C06616
  • 9X2R375YNZ
  • 9X2R375YNZ
  • 9X2R375YNZ
  • 9X2R375YNZ
  • 9X2R375YNZ
  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
  • Erythromycin C
  • Erythromycin C
  • Erythromycin C
  • Erythromycin C
  • Erythromycin C
  • UNII-9X2R375YNZ
  • UNII-9X2R375YNZ
  • UNII-9X2R375YNZ
  • UNII-9X2R375YNZ
  • UNII-9X2R375YNZ
  • Q27133183
  • Q27133183
  • Q27133183
  • Q27133183
  • Q27133183
  • CS-0092184
  • CS-0092184
  • CS-0092184
  • CS-0092184
  • CS-0092184
  • 3''-O-Demethylerythromycin
  • 3''-O-Demethylerythromycin
  • 3''-O-Demethylerythromycin
  • 3''-O-Demethylerythromycin
  • 3''-O-Demethylerythromycin
  • (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-4-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6 -dimethyl-oxan-2-yl]oxy-6-[(2
  • (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-4-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6 -dimethyl-oxan-2-yl]oxy-6-[(2
  • (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-4-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6 -dimethyl-oxan-2-yl]oxy-6-[(2
  • (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-4-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6 -dimethyl-oxan-2-yl]oxy-6-[(2
  • (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-4-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6 -dimethyl-oxan-2-yl]oxy-6-[(2
物化性质
实验特性
LogP 1.13150
PSA 204.91000
折射率 1.545
沸点 826.2°C at 760 mmHg
闪点 453.5°C
密度 1.23
计算特性
精确分子量 719.44600
氢键供体数量 6
氢键受体数量 14
可旋转化学键数量 6
同位素质量 719.446
重原子数量 50
复杂度 1160
同位素原子数量 0
确定原子立构中心数量 18
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.2
拓扑分子极性表面积 205A^2
专业数据库参考
PubChemId 83933
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