Chem
J-GLOBAL ID:200907025832841075   Nikkaji number:J1.429.333G

1-(Phenylthio)-2-O,3-O,4-O-triisobutyryl-1-deoxy-β-D-glucopyranuronic acid methyl ester

1-(フェニルチオ)-2-O,3-O,4-O-トリイソブチリル-1-デオキシ-β-D-グルコピラヌロン酸メチル
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: C25H34O9S
Molecular formula furigana: C25-H34-O9-S
Molecular weight: 510.600
InChI: InChI=1S/C25H34O9S/c1-13(2)21(26)31-17-18(32-22(27)14(3)4)20(33-23(28)15(5)6)25(34-19(17)24(29)30-7)35-16-11-9-8-10-12-16/h8-15,17-20,25H,1-7H3/t17-,18-,19-,20+,25-/m0/s1
InChI key: UGGBUGOGGUBTBI-UDYZQQPESA-N
SMILES: COC(=O)[C@H]1O[C@@H](Sc2ccccc2)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C
Systematic name  (3):
  • 1-(フェニルチオ)-2-O,3-O,4-O-トリイソブチリル-1-デオキシ-β-D-グルコピラヌロン酸メチル
  • メチル (2S,3S,4S,5R,6S)-3,4,5-トリス[(2-メチルプロパノイル)オキシ]-6-(フェニルスルファニル)オキサン-2-カルボキシラート
  • methyl (2S,3S,4S,5R,6S)-3,4,5-tris[(2-methylpropanoyl)oxy]-6-(phenylsulfanyl)oxane-2-carboxylate
Other name (1):
  • 1-(Phenylthio)-2-O,3-O,4-O-triisobutyryl-1-deoxy-β-D-glucopyranuronic acid methyl ester
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