Chem
J-GLOBAL ID：200907017794984344   Nikkaji number：J15.156D

Erythromycin C

エリスロマイシンC
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： C36H65NO13
Molecular formula furigana： C36-H65-N-O13
Molecular weight： 719.910
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
InChI key： MWFRKHPRXPSWNT-RRCVPVEZSA-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@]1(C)O
Systematic name  (3)：
  • 3′-O-デメチルエリトロマイシン
  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,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-7,12,13-トリヒドロキシ-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,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-1-oxacyclotetradecane-2,10-dione
Other name (4)：
  • エリスロマイシンC
  • エリトロマイシンC
  • Erythromycin C
  • 3′-O-Demethylerythromycin
CAS registry number： 1675-02-1
KEGG COMPOUND： C06616
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