Chem
J-GLOBAL ID：200907019790015412   Nikkaji number：J318B

Erythromycin D

エリスロマイシンD
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)29(39)20(5)28(38)17(2)16-36(9,43)33(49-35-31(41)24(37(10)11)14-18(3)45-35)21(6)32(22(7)34(42)47-25)48-27-15-26(44-12)30(40)23(8)46-27/h17-27,29-33,35,39-41,43H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25?,26-,27+,29+,30+,31-,32?,33-,35+,36-/m1/s1
InChI key： DPBGNTMEFQTMPG-ITFFTZNFSA-N
SMILES： CCC1OC(=O)[C@H](C)C(O[C@H]2C[C@@H](OC)[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)：
  • 3′-デメチル-12-デオキシエリスロマイシン
  • (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-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-4-{[(2R,4R,5S,6S)-5-ヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-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)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
Other name (3)：
  • エリスロマイシンD
  • Erythromycin D
  • 3′-Demethyl-12-deoxyerythromycin
CAS registry number： 33442-56-7
KEGG COMPOUND： C06633
Application (1)：
macrolide antibiotics
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