Chem
J-GLOBAL ID：200907045050646223   Nikkaji number：J1.199.253F

12-Deoxy-3′-O-demethylerythromycin

12-デオキシ-3′-O-デメチルエリスロマイシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C36H65NO12
Molecular formula furigana： C36-H65-N-O12
Molecular weight： 703.911
InChI： InChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25?,26+,28+,29-,30?,31+,32-,34+,35-,36-/m1/s1
InChI key： CLQUUOKNEOQBSW-GKVKAVBWSA-N
SMILES： CCC1OC(=O)[C@H](C)C(O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
Systematic name  (3)：
  • 12-デオキシ-3′-O-デメチルエリスロマイシン
  • (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-{[(2R,4R,5S,6S)-4,5-ジヒドロキシ-4,6-ジメチルオキサン-2-イル]オキシ}-6-{[(2S,3R,4S,6R)-4-(ジメチルアミノ)-3-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-14-エチル-7,12-ジヒドロキシ-3,5,7,9,11,13-ヘキサメチル-1-オキサシクロテトラデカン-2,10-ジオン
  • (3R,4S,5S,6R,7R,9R,11R,12S,13R,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-dihydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
Other name (1)：
  • 12-Deoxy-3′-O-demethylerythromycin
Thsaurus map：
Thesaurus Map

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