Chem
J-GLOBAL ID：200907000702925304   Nikkaji number：J1.394.886K

(3S,4S)-3-Bromo-3-methyl-4-butoxy-4-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyloxy)-2-butanone

(3S,4S)-3-ブロモ-3-メチル-4-ブトキシ-4-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシルオキシ)-2-ブタノン
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： C23H35BrO12
Molecular formula furigana： C23-H35-BR-O12
Molecular weight： 583.425
InChI： InChI=1S/C23H35BrO12/c1-8-9-10-30-22(23(7,24)12(2)25)36-21-20(34-16(6)29)19(33-15(5)28)18(32-14(4)27)17(35-21)11-31-13(3)26/h17-22H,8-11H2,1-7H3/t17-,18-,19+,20-,21+,22+,23-/m1/s1
InChI key： JHWMKBGDCQHXFZ-PBJBAIGCSA-N
SMILES： CCCCO[C@@H](O[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)[C@](C)(Br)C(=O)C
Systematic name  (3)：
  • (3S,4S)-3-ブロモ-3-メチル-4-ブトキシ-4-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシルオキシ)-2-ブタノン
  • [(2R,3R,4S,5R,6S)-3,4,5-トリス(アセチルオキシ)-6-[(1S,2S)-2-ブロモ-1-ブトキシ-2-メチル-3-オキソブトキシ]オキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-[(1S,2S)-2-bromo-1-butoxy-2-methyl-3-oxobutoxy]oxan-2-yl]methyl acetate
Other name (1)：
  • (3S,4S)-3-Bromo-3-methyl-4-butoxy-4-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyloxy)-2-butanone
Thsaurus map：
Thesaurus Map

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