Adotc cpd (4S,4aS,5aS,6S,12aS)-2-乙酰基-4-(二甲氨基)-3,6,10,12,12a-五羟基-6-甲基-4a,5,5a,6-四氢四烯-1,11(4H,12aH)-二酮 （土霉素杂质）

CAS 6542-44-5 MFCD06542445

化学结构图

6542-44-5
SMILES: CC(=O)C1=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC2C(N(C)C)C1=O

化学属性

Mol. FormulaC23H25NO8
Mol. Weight443.45
Boiling Point736.9±60.0 °C at 760 mmHg

别名和识别编码

Chemical NameAdotc cpd
Chemical Name Translation(4S,4aS,5aS,6S,12aS)-2-乙酰基-4-(二甲氨基)-3,6,10,12,12a-五羟基-6-甲基-4a,5,5a,6-四氢四烯-1,11(4H,12aH)-二酮 （土霉素杂质）
InChIKeyZPHAATWBCGBELI-OIVQWWNTSA-N
PubChem Substance ID3083967
InChIInChI=1S/C23H25NO8/c1-9(25)14-19(28)17(24(3)4)12-8-11-16(21(30)23(12,32)20(14)29)18(27)15-10(22(11,2)31)6-5-7-13(15)26/h5-7,11-12,17,26-27,29,31-32H,8H2,1-4H3/t11-,12-,17-,22+,23+/m0/s1
Synonym (4S,4aS,5aS,6S,12aS)-2-Acetyl-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-4a,5,5a,6-tetrahydrotetracene-1,11(4H,12aH)-dione (Oxytetracycline Impurity) {LY} (4S,4aS,5aS,6S,12aS)-2-Acetyl-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-4a,5,5a,6-tetrahydrotetracene-1,11(4H,12aH)-dione (Oxytetracycline Impurity) {} {LY} (4S,4aS,5aS,6S,12aS)-2-Acetyl-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-4a,5,5a,6-tetrahydrotetracene-1,11(4H,12aH)-dione (Oxytetracycline Impurity) {} {} {LY} (4S,4aS,5aS,6S,12aS)-2-Acetyl-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-4a,5,5a,6-tetrahydrotetracene-1,11(4H,12aH)-dione (Oxytetracycline Impurity) {} {} {} {LY} (4S,4aS,5aS,6S,12aS)-2-Acetyl-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-4a,5,5a,6-tetrahydrotetracene-1,11(4H,12aH)-dione (Oxytetracycline Impurity) {} {} {} {} {LY} (4S,4aS,5aS,6S,12aS)-2-Acetyl-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-4a,5,5a,6-tetrahydrotetracene-1,11(4H,12aH)-
CAS Number6542-44-5
Canonical SMILESO[C@@]12[C@@]([C@@H](C(O)=C(C2=O)C(C)=O)N(C)C)([H])C[C@@]3([H])C(C(C4=C(O)C=CC=C4[C@]3(O)C)=O)=C1O
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