Chem
J-GLOBAL ID：201907017487374005   Nikkaji number：J3.737.149A

[(3aR,4R,6S,6aR)-6-[(benzoyloxy)methyl]-6-(dodecylsulfanyl)-2,2-dimethyl-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-ジメチル-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： C35H48O7S
Molecular formula furigana： C35-H48-O7-S
Molecular weight： 612.820
InChI： InChI=1S/C35H48O7S/c1-4-5-6-7-8-9-10-11-12-19-24-43-35(26-39-33(37)28-22-17-14-18-23-28)31-30(41-34(2,3)42-31)29(40-35)25-38-32(36)27-20-15-13-16-21-27/h13-18,20-23,29-31H,4-12,19,24-26H2,1-3H3/t29-,30-,31-,35+/m1/s1
InChI key： PZXADJPZBYLXBT-WLDYPGBFSA-N
SMILES： O1C(O[C@@H]2[C@H](O[C@]([C@H]12)(SCCCCCCCCCCCC)COC(=O)c1ccccc1)COC(=O)c1ccccc1)(C)C
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-ジメチル-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-ジメチル-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-dimethyl-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-ジメチル-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-dimethyl-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate
Thsaurus map：
Thesaurus Map

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