Chem
J-GLOBAL ID：200907052201974909   Nikkaji number：J247.158B

EM-523

EM-523
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： C38H67NO12
Molecular formula furigana： C38-H67-N-O12
Molecular weight： 729.949
InChI： InChI=1S/C38H67NO12/c1-14-26-38(11,44)31(41)21(5)29-19(3)17-37(10,51-29)33(50-35-28(40)25(39(12)15-2)16-20(4)46-35)22(6)30(23(7)34(43)48-26)49-27-18-36(9,45-13)32(42)24(8)47-27/h20-28,30-33,35,40-42,44H,14-18H2,1-13H3/t20-,21+,22+,23-,24+,25+,26-,27+,28-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChI key： UTTLXGDLSXWDJI-QZCZOBQCSA-N
SMILES： CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(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)CC)[C@@]2(C)CC(=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O)C
Systematic name  (4)：
  • 3′′-N-デメチル-3′′-N-エチル-6-デオキシ-9-デオキソ-8,9-ジデヒドロ-6,9-エポキシエリスロマイシン
  • 6β,9-エポキシ-8,9-ジデヒドロ-9-デオキソ-6-デオキシ-3′′-デス(ジメチルアミノ)-3′′-(N-エチル-N-メチルアミノ)エリスロマイシン
  • (2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-エチル-11-{[(2S,3R,4S,6R)-4-[エチル(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}-3,4-ジヒドロキシ-9-{[(2R,4R,5S,6S)-5-ヒドロキシ-4-メトキシ-4,6-ジメチルオキサン-2-イル]オキシ}-2,4,8,10,12,14-ヘキサメチル-6,15-ジオキサビシクロ[10.2.1]ペンタデカ-1(14)-エン-7-オン
  • (2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-11-{[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-9-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
Other name (2)：
  • 6β,9-Epoxy-8,9-didehydro-9-deoxo-6-deoxy-3′′-des(dimethylamino)-3′′-(N-ethyl-N-methylamino)erythromycin
  • EM-523
CAS registry number： 110205-60-2
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