Chem
J-GLOBAL ID:201207040646093101
Nikkaji number:J3.009.451D
2,2,2-Trichloroacetimidic acid 2-O,3-O-benzylidene-5-O-(3-methylbutyryl)-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-(3-メチルブチリル)-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:
C19 H22 Cl3 NO6
Molecular formula furigana:
C19-H22-CL3-N-O6
Molecular weight:
466.740
InChI:
InChI=1S/C19H22Cl3NO6/c1-11(2)8-13(24)25-9-18-10-26-16(28-17(23)19(20,21)22)14(18)27-15(29-18)12-6-4-3-5-7-12/h3-7,11,14-16,23H,8-10H2,1-2H3/t14-,15?,16-,18+/m0/s1
InChI key:
OHUJDLPGTRBJCO-LIBIOYMGSA-N
SMILES:
CC(C)CC(=O)OC[C@@]12CO[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@@H]1OC(O2)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-(3-メチルブチリル)-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 3-メチルブタノアート
[(3aS,6S,6aR)-2-phenyl-6-[(2,2,2-trichloroethanimidoyl)oxy]-tetrahydro-2H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 3-methylbutanoate
Other name (1):
2,2,2-Trichloroacetimidic acid 2-O,3-O-benzylidene-5-O-(3-methylbutyryl)-D-apio-β-D-furanosyl ester
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