Chem
J-GLOBAL ID：200907018969922238   Nikkaji number：J1.594.560E

4-O-(α-D-galactopyranosyl)calystegineB2

4-O-(α-D-ガラクトピラノシル)キャリステジンB2
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： C13H23NO9
Molecular formula furigana： C13-H23-N-O9
Molecular weight： 337.325
InChI： InChI=1S/C13H23NO9/c15-3-5-6(16)7(17)8(18)12(22-5)23-10-4-1-2-13(21,14-4)11(20)9(10)19/h4-12,14-21H,1-3H2/t4-,5+,6-,7-,8+,9-,10?,11+,12+,13-/m0/s1
InChI key： IWKGAFMTKIYREN-OJMMHTBOSA-N
SMILES： OC[C@H]1O[C@H](OC2[C@@H]3CC[C@@](O)(N3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • (1S,5S)-4-(α-D-ガラクトピラノシルオキシ)-8-アザビシクロ[3.2.1]オクタン-1,2α,3β-トリオール
  • (1S,2R,3R,5S)-4-{[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-8-アザビシクロ[3.2.1]オクタン-1,2,3-トリオール
  • (1S,2R,3R,5S)-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-azabicyclo[3.2.1]octane-1,2,3-triol
Other name (3)：
  • (1S,5S)-4-(α-D-Galactopyranosyloxy)-8-azabicyclo[3.2.1]octane-1,2α,3β-triol
  • 4-O-(α-D-ガラクトピラノシル)キャリステジンB2
  • 4-O-(α-D-galactopyranosyl)calystegineB2
Thsaurus map：
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