Chem
J-GLOBAL ID：200907097591970813   Nikkaji number：J850.952B

(1S,3R,6R,8R)-3-(4-Bromophenyl)-8-[4-(decyloxy)phenyl]-2,4,7-trioxabicyclo[4.4.0]decane

(1S,3R,6R,8R)-3-(4-ブロモフェニル)-8-[4-(デシルオキシ)フェニル]-2,4,7-トリオキサビシクロ[4.4.0]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： C29H39BrO4
Molecular formula furigana： C29-H39-BR-O4
Molecular weight： 531.531
InChI： InChI=1S/C29H39BrO4/c1-2-3-4-5-6-7-8-9-20-31-25-16-12-22(13-17-25)26-18-19-27-28(33-26)21-32-29(34-27)23-10-14-24(30)15-11-23/h10-17,26-29H,2-9,18-21H2,1H3/t26-,27+,28-,29-/m1/s1
InChI key： NOLIYMDGXRFYDU-VJLHXPKFSA-N
SMILES： CCCCCCCCCCOc1ccc(cc1)[C@H]1CC[C@@H]2O[C@@H](OC[C@H]2O1)c1ccc(Br)cc1
Systematic name  (3)：
  • (1S,3R,6R,8R)-3-(4-ブロモフェニル)-8-[4-(デシルオキシ)フェニル]-2,4,7-トリオキサビシクロ[4.4.0]デカン
  • (2R,4aR,6R,8aS)-2-(4-ブロモフェニル)-6-[4-(デシルオキシ)フェニル]-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン
  • (2R,4aR,6R,8aS)-2-(4-bromophenyl)-6-[4-(decyloxy)phenyl]-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
Other name (1)：
  • (1S,3R,6R,8R)-3-(4-Bromophenyl)-8-[4-(decyloxy)phenyl]-2,4,7-trioxabicyclo[4.4.0]decane
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