Chem
J-GLOBAL ID：200907041447539860   Nikkaji number：J989J

Leucomycin A4

ロイコマイシンA4
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： C41H67NO15
Molecular formula furigana： C41-H67-N-O15
Molecular weight： 813.979
InChI： InChI=1S/C41H67NO15/c1-11-15-31(46)55-39-26(5)52-33(22-41(39,7)49)56-36-25(4)53-40(35(48)34(36)42(8)9)57-37-28(18-19-43)20-23(2)29(45)17-14-12-13-16-24(3)51-32(47)21-30(38(37)50-10)54-27(6)44/h12-14,17,19,23-26,28-30,33-40,45,48-49H,11,15-16,18,20-22H2,1-10H3/b13-12+,17-14+/t23-,24-,25-,26+,28?,29+,30?,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1
InChI key： XVTMRUKLMXPAKO-ZXTVIZAWSA-N
SMILES： CCCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)O)O[C@@H]1[C@@H](C)O[C@@H](O[C@H]2C(CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)CC(OC(=O)C)[C@@H]2OC)[C@H](O)[C@H]1N(C)C
Systematic name  (3)：
  • ロイコマイシンV3-アセタート4′′-ブタノアート
  • (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-(アセチルオキシ)-10-ヒドロキシ-5-メトキシ-9,16-ジメチル-2-オキソ-7-(2-オキソエチル)-1-オキサシクロヘキサデカ-11,13-ジエン-6-イル]オキシ}-4-(ジメチルアミノ)-5-ヒドロキシ-2-メチルオキサン-3-イル]オキシ}-4-ヒドロキシ-2,4-ジメチルオキサン-3-イル ブタノアート
  • (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl butanoate
Other name (4)：
  • ロイコマイシンA4
  • Leucomycin A4
  • Leucomycin V 3-acetate 4′′-butanoate
  • Leukomycin A4
CAS registry number： 18361-46-1
Regulation number (1)：
  • OH4725760
KEGG COMPOUND： C14057
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