Chem
J-GLOBAL ID：200907090235307447   Nikkaji number：J850.961A

(1S,3R,6R)-3-[4′-(Octyloxy)-1,1′-biphenyl-4-yl]-2,4,7-trioxabicyclo[4.4.0]decane

(1S,3R,6R)-3-[4′-(オクチルオキシ)-1,1′-ビフェニル-4-イル]-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： C27H36O4
Molecular formula furigana： C27-H36-O4
Molecular weight： 424.581
InChI： InChI=1S/C27H36O4/c1-2-3-4-5-6-7-18-28-24-16-14-22(15-17-24)21-10-12-23(13-11-21)27-30-20-26-25(31-27)9-8-19-29-26/h10-17,25-27H,2-9,18-20H2,1H3/t25-,26+,27+/m0/s1
InChI key： YVGLIJGXSGYAED-OYUWMTPXSA-N
SMILES： CCCCCCCCOc1ccc(cc1)c1ccc(cc1)[C@@H]1OC[C@H]2OCCC[C@@H]2O1
Systematic name  (3)：
  • (1S,3R,6R)-3-[4′-(オクチルオキシ)-1,1′-ビフェニル-4-イル]-2,4,7-トリオキサビシクロ[4.4.0]デカン
  • (2R,4aR,8aS)-2-[4'-(オクチルオキシ)-[1,1'-ビフェニル]-4-イル]-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン
  • (2R,4aR,8aS)-2-[4'-(octyloxy)-[1,1'-biphenyl]-4-yl]-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
Other name (1)：
  • (1S,3R,6R)-3-[4′-(Octyloxy)-1,1′-biphenyl-4-yl]-2,4,7-trioxabicyclo[4.4.0]decane
Thsaurus map：
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