Chem
J-GLOBAL ID：200907058558307720   Nikkaji number：J1.006.749I

ABT-229

ABT-229
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： C38H67NO10
Molecular formula furigana： C38-H67-N-O10
Molecular weight： 697.951
InChI： InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1
InChI key： IWTSXJNGTTXMFK-KTQUSEMZSA-N
SMILES： CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@H](C)O2)OC)[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@H]1C)C
Systematic name  (3)：
  • (6R)-4′,6,12-トリデオキシ-3′′-デス(ジメチルアミノ)-3′′-(メチルエチルアミノ)-9-デオキソ-6,9-エポキシ-8,9-ジデヒドロエリスロマイシン
  • (2R,3S,4R,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-ヒドロキシ-9-{[(2S,4S,6S)-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,3S,4R,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-hydroxy-9-{[(2S,4S,6S)-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)：
  • (6R)-4′,6,12-Trideoxy-3′′-des(dimethylamino)-3′′-(methylethylamino)-9-deoxo-6,9-epoxy-8,9-didehydroerythromycin
  • ABT-229
Thsaurus map：
Thesaurus Map

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