Chem
J-GLOBAL ID：201907004547452898   Nikkaji number：J3.737.152A

[(3aR,4R,6S,6aR)-6-[(benzoyloxy)methyl]-2,2-diethyl-6-(phenylsulfanyl)-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]-2,2-ジエチル-6-(フェニルスルファニル)-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： C31H32O7S
Molecular formula furigana： C31-H32-O7-S
Molecular weight： 548.650
InChI： InChI=1S/C31H32O7S/c1-3-30(4-2)37-26-25(20-34-28(32)22-14-8-5-9-15-22)36-31(27(26)38-30,39-24-18-12-7-13-19-24)21-35-29(33)23-16-10-6-11-17-23/h5-19,25-27H,3-4,20-21H2,1-2H3/t25-,26-,27-,31+/m1/s1
InChI key： WLWMTQWCXGBOBC-VHBXCGMBSA-N
SMILES： O1C(O[C@@H]2[C@H](O[C@]([C@H]12)(Sc1ccccc1)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-(フェニルスルファニル)-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]-2,2-ジエチル-6-(フェニルスルファニル)-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]-2,2-diethyl-6-(phenylsulfanyl)-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]-2,2-ジエチル-6-(フェニルスルファニル)-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]-2,2-diethyl-6-(phenylsulfanyl)-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate
Thsaurus map：
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