Chem
J-GLOBAL ID:201907002154263063   Nikkaji number:J3.737.153J

[(3aR,4R,6S,6aR)-6-[(benzoyloxy)methyl]-6-(dodecylsulfanyl)-2,2-diethyl-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate

[(3aR,4R,6S,6aR)-6-[(ベンゾイルオキシ)メチル]-6-(ドデシルスルファニル)-2,2-ジエチル-ジヒドロ-3aH-フロ[3,4-d][1,3]ジオキソール-4-イル]メチルベンゾアート
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: C37H52O7S
Molecular formula furigana: C37-H52-O7-S
Molecular weight: 640.880
InChI: InChI=1S/C37H52O7S/c1-4-7-8-9-10-11-12-13-14-21-26-45-37(28-41-35(39)30-24-19-16-20-25-30)33-32(43-36(5-2,6-3)44-33)31(42-37)27-40-34(38)29-22-17-15-18-23-29/h15-20,22-25,31-33H,4-14,21,26-28H2,1-3H3/t31-,32-,33-,37+/m1/s1
InChI key: GCCZWRIBEZSJHH-WQDCPGLISA-N
SMILES: O1C(O[C@@H]2[C@H](O[C@]([C@H]12)(SCCCCCCCCCCCC)COC(=O)c1ccccc1)COC(=O)c1ccccc1)(CC)CC
Systematic name  (3):
  • (3aR,4S,6R,6aR)-4-[(ベンゾイルオキシ)メチル]-6-[(ベンゾイルオキシ)メチル]-4-(ドデシルスルファニル)-2,2-ジエチル-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール
  • [(3aR,4R,6S,6aR)-6-[(ベンゾイルオキシ)メチル]-6-(ドデシルスルファニル)-2,2-ジエチル-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール-4-イル]メチルベンゾアート
  • [(3aR,4R,6S,6aR)-6-[(benzoyloxy)methyl]-6-(dodecylsulfanyl)-2,2-diethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate
Other name (2):
  • [(3aR,4R,6S,6aR)-6-[(ベンゾイルオキシ)メチル]-6-(ドデシルスルファニル)-2,2-ジエチル-ジヒドロ-3aH-フロ[3,4-d][1,3]ジオキソール-4-イル]メチルベンゾアート
  • [(3aR,4R,6S,6aR)-6-[(benzoyloxy)methyl]-6-(dodecylsulfanyl)-2,2-diethyl-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate
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