Chem
J-GLOBAL ID：200907014807117450   Nikkaji number：J850.951D

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

(1S,3R,6R,8R)-3-(4-ブロモフェニル)-8-[4-(オクチルオキシ)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： C27H35BrO4
Molecular formula furigana： C27-H35-BR-O4
Molecular weight： 503.477
InChI： InChI=1S/C27H35BrO4/c1-2-3-4-5-6-7-18-29-23-14-10-20(11-15-23)24-16-17-25-26(31-24)19-30-27(32-25)21-8-12-22(28)13-9-21/h8-15,24-27H,2-7,16-19H2,1H3/t24-,25+,26-,27-/m1/s1
InChI key： ZOXKDGDXIXXCNC-HVWQDESWSA-N
SMILES： CCCCCCCCOc1ccc(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-(オクチルオキシ)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-(オクチルオキシ)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-(octyloxy)phenyl]-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
Other name (1)：
  • (1S,3R,6R,8R)-3-(4-Bromophenyl)-8-[4-(octyloxy)phenyl]-2,4,7-trioxabicyclo[4.4.0]decane
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