Chem
J-GLOBAL ID:200907096800014333
Nikkaji number:J1.994.407G
1-Fluoro-1-deoxy-2-O,3-O,4-O-tris(3-methylbenzoyl)-β-D-xylopyranose
1-フルオロ-1-デオキシ-2-O,3-O,4-O-トリス(3-メチルベンゾイル)-β-D-キシロピラノース
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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:
C29 H27 FO7
Molecular formula furigana:
C29-H27-F-O7
Molecular weight:
506.526
InChI:
InChI=1S/C29H27FO7/c1-17-7-4-10-20(13-17)27(31)35-23-16-34-26(30)25(37-29(33)22-12-6-9-19(3)15-22)24(23)36-28(32)21-11-5-8-18(2)14-21/h4-15,23-26H,16H2,1-3H3/t23-,24+,25-,26-/m1/s1
InChI key:
QNJAZUGMOBQGEI-XDZVQPMWSA-N
SMILES:
Cc1cccc(c1)C(=O)O[C@@H]1CO[C@@H](F)[C@H](OC(=O)c2cccc(C)c2)[C@H]1OC(=O)c1cccc(C)c1
Systematic name (3):
1-フルオロ-1-デオキシ-2-O,3-O,4-O-トリス(3-メチルベンゾイル)-β-D-キシロピラノース
(3R,4S,5R,6S)-6-フルオロ-4,5-ビス(3-メチルベンゾイルオキシ)オキサン-3-イル 3-メチルベンゾアート
(3R,4S,5R,6S)-6-fluoro-4,5-bis(3-methylbenzoyloxy)oxan-3-yl 3-methylbenzoate
Other name (1):
1-Fluoro-1-deoxy-2-O,3-O,4-O-tris(3-methylbenzoyl)-β-D-xylopyranose
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