Chem
J-GLOBAL ID：200907079933344717   Nikkaji number：J850.953K

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

(1S,3R,6R,8R)-3-(4-ヨードフェニル)-8-[4-(ヘキシルオキシ)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： C25H31IO4
Molecular formula furigana： C25-H31-I-O4
Molecular weight： 522.423
InChI： InChI=1S/C25H31IO4/c1-2-3-4-5-16-27-21-12-8-18(9-13-21)22-14-15-23-24(29-22)17-28-25(30-23)19-6-10-20(26)11-7-19/h6-13,22-25H,2-5,14-17H2,1H3/t22-,23+,24-,25-/m1/s1
InChI key： XRUIFHJHIVAPCC-ZFFYZDHPSA-N
SMILES： CCCCCCOc1ccc(cc1)[C@H]1CC[C@@H]2O[C@@H](OC[C@H]2O1)c1ccc(I)cc1
Systematic name  (3)：
  • (1S,3R,6R,8R)-3-(4-ヨードフェニル)-8-[4-(ヘキシルオキシ)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)-6-[4-(ヘキシルオキシ)フェニル]-2-(4-ヨードフェニル)-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン
  • (2R,4aR,6R,8aS)-6-[4-(hexyloxy)phenyl]-2-(4-iodophenyl)-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
Other name (1)：
  • (1S,3R,6R,8R)-3-(4-Iodophenyl)-8-[4-(hexyloxy)phenyl]-2,4,7-trioxabicyclo[4.4.0]decane
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