Chem
J-GLOBAL ID:200907040097317005   Nikkaji number:J850.959J

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

(1S,3R,6R,8R)-3-[4-[(トリメチルシリル)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: C32H44O4Si
Molecular formula furigana: C32-H44-O4-SI
Molecular weight: 520.784
InChI: InChI=1S/C32H44O4Si/c1-5-6-7-8-9-10-22-33-28-17-15-26(16-18-28)29-19-20-30-31(35-29)24-34-32(36-30)27-13-11-25(12-14-27)21-23-37(2,3)4/h11-18,29-32H,5-10,19-20,22,24H2,1-4H3/t29-,30+,31-,32-/m1/s1
InChI key: YBSYQYOWNZDEPA-VWPRMMSESA-N
SMILES: CCCCCCCCOc1ccc(cc1)[C@H]1CC[C@@H]2O[C@@H](OC[C@H]2O1)c1ccc(cc1)C#C[Si](C)(C)C
Systematic name  (3):
  • (1S,3R,6R,8R)-3-[4-[(トリメチルシリル)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
  • (2-{4-[(2R,4aR,6R,8aS)-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-2-イル]フェニル}エチニル)トリメチルシラン
  • (2-{4-[(2R,4aR,6R,8aS)-6-[4-(octyloxy)phenyl]-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-2-yl]phenyl}ethynyl)trimethylsilane
Other name (1):
  • (1S,3R,6R,8R)-3-[4-[(Trimethylsilyl)ethynyl]phenyl]-8-[4-(octyloxy)phenyl]-2,4,7-trioxabicyclo[4.4.0]decane
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