Chem
J-GLOBAL ID:201207058545752569
Nikkaji number:J3.009.452B
2,2,2-Trichloroacetimidic acid 2-O,3-O-benzylidene-5-O-[4-(benzyloxy)benzoyl]-D-apio-β-D-furanosyl ester
2,2,2-トリクロロアセトイミド酸2-O,3-O-ベンジリデン-5-O-[4-(ベンジルオキシ)ベンゾイル]-D-アピオ-β-D-フラノシル
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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:
C28 H24 Cl3 NO7
Molecular formula furigana:
C28-H24-CL3-N-O7
Molecular weight:
592.850
InChI:
InChI=1S/C28H24Cl3NO7/c29-28(30,31)26(32)38-25-22-27(17-36-25,39-24(37-22)20-9-5-2-6-10-20)16-35-23(33)19-11-13-21(14-12-19)34-15-18-7-3-1-4-8-18/h1-14,22,24-25,32H,15-17H2/t22-,24?,25-,27+/m0/s1
InChI key:
FGHNMCZXTRXCEK-MAUBGXILSA-N
SMILES:
ClC(Cl)(Cl)C(=N)O[C@@H]1OC[C@@]2(COC(=O)c3ccc(OCc4ccccc4)cc3)OC(O[C@@H]12)c1ccccc1
Systematic name (3):
2,2,2-トリクロロアセトイミド酸2-O,3-O-ベンジリデン-5-O-[4-(ベンジルオキシ)ベンゾイル]-D-アピオ-β-D-フラノシル
[(3aS,6S,6aR)-2-フェニル-6-[(2,2,2-トリクロロエタンイミドイル)オキシ]-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール-3a-イル]メチル 4-(ベンジルオキシ)ベンゾアート
[(3aS,6S,6aR)-2-phenyl-6-[(2,2,2-trichloroethanimidoyl)oxy]-tetrahydro-2H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 4-(benzyloxy)benzoate
Other name (1):
2,2,2-Trichloroacetimidic acid 2-O,3-O-benzylidene-5-O-[4-(benzyloxy)benzoyl]-D-apio-β-D-furanosyl ester
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