Chem
J-GLOBAL ID:201907019254990809
Nikkaji number:J3.737.151C
[(3aR,6R,6aR)-6-[(benzoyloxy)methyl]-2,2-diethyl-4-hydroxy-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate
[(3aR,6R,6aR)-6-[(ベンゾイルオキシ)メチル]-2,2-ジエチル-4-ヒドロキシ-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
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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:
C25 H28 O8
Molecular formula furigana:
C25-H28-O8
Molecular weight:
456.491
InChI:
InChI=1S/C25H28O8/c1-3-24(4-2)32-20-19(15-29-22(26)17-11-7-5-8-12-17)31-25(28,21(20)33-24)16-30-23(27)18-13-9-6-10-14-18/h5-14,19-21,28H,3-4,15-16H2,1-2H3/t19-,20-,21-,25?/m1/s1
InChI key:
QDKVZWNGSDRCSN-FDBHIMERSA-N
SMILES:
O(C[C@H]1OC(O)(COC(=O)c2ccccc2)[C@@H]2OC(O[C@H]12)(CC)CC)C(=O)c1ccccc1
Systematic name (3):
1-O,6-O-ジベンゾイル-3-O,4-O-(1-エチルプロピリデン)-D-プシコフラノース
[(3aR,6R,6aR)-6-[(ベンゾイルオキシ)メチル]-2,2-ジエチル-4-ヒドロキシ-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,6R,6aR)-6-[(benzoyloxy)methyl]-2,2-diethyl-4-hydroxy-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate
Other name (2):
[(3aR,6R,6aR)-6-[(ベンゾイルオキシ)メチル]-2,2-ジエチル-4-ヒドロキシ-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,6R,6aR)-6-[(benzoyloxy)methyl]-2,2-diethyl-4-hydroxy-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate
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