Chem
J-GLOBAL ID：201007061211114231   Nikkaji number：J2.783.683F

Novclobiocin 105

ノブクロビオチン105
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： C28H30ClNO10
Molecular formula furigana： C28-H30-CL-N-O10
Molecular weight： 576.000
InChI： InChI=1S/C28H30ClNO10/c1-12(2)5-6-13-11-14(7-9-16(13)31)25(36)30-19-20(32)15-8-10-17(18(29)23(15)39-26(19)37)38-27-22(34)21(33)24(35)28(3,4)40-27/h5,7-11,21-22,24,27,31-35H,6H2,1-4H3,(H,30,36)/t21-,22+,24+,27+/m0/s1
InChI key： PVBGAGFRLSUWAK-CXTNQITHSA-N
SMILES： CC(=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](O)[C@@H](O)[C@H]3O)c(Cl)c2oc1=O)C
Systematic name  (3)：
  • N-[8-クロロ-4-ヒドロキシ-7-[[(2S,3R,4R,5R)-3,4,5-トリヒドロキシ-6,6-ジメチルテトラヒドロ-2H-ピラン-2-イル]オキシ]-2-オキソ-2H-1-ベンゾピラン-3-イル]-4-ヒドロキシ-3-(3-メチル-2-ブテニル)ベンズアミド
  • N-(8-クロロ-4-ヒドロキシ-2-オキソ-7-{[(2S,3R,4R,5R)-3,4,5-トリヒドロキシ-6,6-ジメチルオキサン-2-イル]オキシ}-2H-クロメン-3-イル)-4-ヒドロキシ-3-(3-メチルブタ-2-エン-1-イル)ベンズアミド
  • N-(8-chloro-4-hydroxy-2-oxo-7-{[(2S,3R,4R,5R)-3,4,5-trihydroxy-6,6-dimethyloxan-2-yl]oxy}-2H-chromen-3-yl)-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
Other name (3)：
  • N-[8-Chloro-4-hydroxy-7-[[(2S,3R,4R,5R)-3,4,5-trihydroxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy]-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl)benzamide
  • Novclobiocin 105
  • ノブクロビオチン105
KEGG COMPOUND： C12472
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