Chem
J-GLOBAL ID：200907061791418533   Nikkaji number：J2.139.959K

(+)-β-HBCD

(+)-β-ヘキサブロモシクロドデカン
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： C12H18Br6
Molecular formula furigana： C12-H18-BR6
Molecular weight： 641.700
InChI： InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8+,9+,10-,11-,12?/m0/s1
InChI key： DEIGXXQKDWULML-APBQJWLKSA-N
SMILES： BrC1CC[C@H](Br)[C@H](Br)CC[C@H](Br)[C@H](Br)CC[C@@H]1Br
Systematic name  (5)：
  • (1S,2S,5R,6S,9R,10S)-1,2,5,6,9,10-ヘキサブロモシクロドデカン
  • (1R,2S,5S,6S,9R,10S)-1,2,5,6,9,10-ヘキサブロモシクロドデカン
  • (1S,2S,5S,6R,9S,10R)-1,2,5,6,9,10-ヘキサブロモシクロドデカン
  • (1R,2S,5R,6S,9S,10S)-1,2,5,6,9,10-ヘキサブロモシクロドデカン
  • (1R,2S,5R,6S,9S,10S)-1,2,5,6,9,10-hexabromocyclododecane
Other name (6)：
  • (1S,2S,5R,6S,9R,10S)-1,2,5,6,9,10-Hexabromocyclododecane
  • (+)-β-HBCD
  • (1R,2S,5S,6S,9R,10S)-1,2,5,6,9,10-Hexabromocyclododecane
  • (1S,2S,5S,6R,9S,10R)-1,2,5,6,9,10-Hexabromocyclododecane
  • (+)-β-ヘキサブロモシクロドデカン
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CAS registry number： 678970-16-6
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