Chem
J-GLOBAL ID：200907011460421561   Nikkaji number：J657.465C

Calystegine B3

カリステギンB3
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： C7H13NO4
Molecular formula furigana： C7-H13-N-O4
Molecular weight： 175.184
InChI： InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6-,7-/m1/s1
InChI key： FXFBVZOJVHCEDO-IECVIRLLSA-N
SMILES： O[C@H]1[C@H]2CC[C@](O)(N2)[C@H](O)[C@@H]1O
Systematic name  (4)：
  • (1R,5R)-8-アザビシクロ[3.2.1]オクタン-1,2α,3α,4β-テトラオール
  • (1R,5R)-8-アザビシクロ[3.2.1]オクタン-2α,3β,4β,5-テトラオール
  • (1R,2R,3R,4S,5R)-8-アザビシクロ[3.2.1]オクタン-1,2,3,4-テトラオール
  • (1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
Other name (4)：
  • (1R,5R)-8-Azabicyclo[3.2.1]octane-1,2α,3α,4β-tetrol
  • (1R,5R)-8-Azabicyclo[3.2.1]octane-2α,3β,4β,5-tetraol
  • カリステギンB3
  • Calystegine B3
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