Chem
J-GLOBAL ID：200907095977810079   Nikkaji number：J850.960C

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

(1S,3R,6R,8R)-3-(4-エチニルフェニル)-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： C29H36O4
Molecular formula furigana： C29-H36-O4
Molecular weight： 448.603
InChI： InChI=1S/C29H36O4/c1-3-5-6-7-8-9-20-30-25-16-14-23(15-17-25)26-18-19-27-28(32-26)21-31-29(33-27)24-12-10-22(4-2)11-13-24/h2,10-17,26-29H,3,5-9,18-21H2,1H3/t26-,27+,28-,29-/m1/s1
InChI key： YIYADOCMWSUSQA-VJLHXPKFSA-N
SMILES： CCCCCCCCOc1ccc(cc1)[C@H]1CC[C@@H]2O[C@@H](OC[C@H]2O1)c1ccc(cc1)C#C
Systematic name  (3)：
  • (1S,3R,6R,8R)-3-(4-エチニルフェニル)-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-エチニルフェニル)-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-ethynylphenyl)-6-[4-(octyloxy)phenyl]-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
Other name (1)：
  • (1S,3R,6R,8R)-3-(4-Ethynylphenyl)-8-[4-(octyloxy)phenyl]-2,4,7-trioxabicyclo[4.4.0]decane
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