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J-GLOBAL ID：200907000159575136   Nikkaji number：J1.479.034I

2-Methyl-5-[(1S,2R,3R)-1,2,3-triacetoxy-4-[2-methyl-5-[(1S,2R,3R)-1,2,3,4-tetraacetoxybutyl]furan-3-ylcarbonylamino]butyl]furan-3-carboxylic acid

2-メチル-5-[(1S,2R,3R)-1,2,3-トリアセトキシ-4-[2-メチル-5-[(1S,2R,3R)-1,2,3,4-テトラアセトキシブチル]フラン-3-イルカルボニルアミノ]ブチル]フラン-3-カルボン酸
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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： C34H41NO19
Molecular formula furigana： C34-H41-N-O19
Molecular weight： 767.690
InChI： InChI=1S/C34H41NO19/c1-14-23(10-25(47-14)30(52-20(7)40)32(54-22(9)42)28(50-18(5)38)13-46-16(3)36)33(43)35-12-27(49-17(4)37)31(53-21(8)41)29(51-19(6)39)26-11-24(34(44)45)15(2)48-26/h10-11,27-32H,12-13H2,1-9H3,(H,35,43)(H,44,45)/t27-,28-,29-,30-,31-,32-/m1/s1
InChI key： PCFYIDVLQQBKLK-DFPPRZEMSA-N
SMILES： CC(=O)OC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)c1cc(C(=O)NC[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)c2cc(C(=O)O)c(C)o2)c(C)o1
Systematic name  (3)：
  • 2-メチル-5-[(1S,2R,3R)-1,2,3-トリアセトキシ-4-[2-メチル-5-[(1S,2R,3R)-1,2,3,4-テトラアセトキシブチル]フラン-3-イルカルボニルアミノ]ブチル]フラン-3-カルボン酸
  • 2-メチル-5-[(1S,2R,3R)-1,2,3-トリス(アセチルオキシ)-4-({2-メチル-5-[(1S,2R,3R)-1,2,3,4-テトラキス(アセチルオキシ)ブチル]フラン-3-イル}ホルムアミド)ブチル]フラン-3-カルボン酸
  • 2-methyl-5-[(1S,2R,3R)-1,2,3-tris(acetyloxy)-4-({2-methyl-5-[(1S,2R,3R)-1,2,3,4-tetrakis(acetyloxy)butyl]furan-3-yl}formamido)butyl]furan-3-carboxylic acid
Other name (1)：
  • 2-Methyl-5-[(1S,2R,3R)-1,2,3-triacetoxy-4-[2-methyl-5-[(1S,2R,3R)-1,2,3,4-tetraacetoxybutyl]furan-3-ylcarbonylamino]butyl]furan-3-carboxylic acid
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