Chem
J-GLOBAL ID：200907024820955095   Nikkaji number：J1.891.246E

(3R)-2-Salicyl-3α-(1-pyrenyl)-5β-(hydroxymethyl)isoxazolidine-4β-sulfonic acid 4,5-sultone

(3R)-2-サリチル-3α-(1-ピレニル)-5β-(ヒドロキシメチル)イソオキサゾリジン-4β-スルホン酸4,5-スルトン
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： C27H21NO5S
Molecular formula furigana： C27-H21-N-O5-S
Molecular weight： 471.530
InChI： InChI=1S/C27H21NO5S/c29-22-7-2-1-4-19(22)14-28-26(27-23(33-28)15-32-34(27,30)31)21-13-11-18-9-8-16-5-3-6-17-10-12-20(21)25(18)24(16)17/h1-13,23,26-27,29H,14-15H2/t23-,26-,27+/m1/s1
InChI key： SGQMOAKLNNKXRX-MVNQZMKCSA-N
SMILES： Oc1ccccc1CN1O[C@@H]2COS(=O)(=O)[C@@H]2[C@H]1c1ccc2ccc3cccc4ccc1c2c34
Systematic name  (3)：
  • (3R)-2-サリチル-3α-(1-ピレニル)-5β-(ヒドロキシメチル)イソオキサゾリジン-4β-スルホン酸4,5-スルトン
  • (3R,3aR,6aR)-2-[(2-ヒドロキシフェニル)メチル]-3-(ピレン-1-イル)-テトラヒドロ-2H-4λ6-[1,2]オキサチオロ[3,4-d][1,2]オキサゾール-4,4-ジオン
  • (3R,3aR,6aR)-2-[(2-hydroxyphenyl)methyl]-3-(pyren-1-yl)-tetrahydro-2H-4λ6-[1,2]oxathiolo[3,4-d][1,2]oxazole-4,4-dione
Other name (1)：
  • (3R)-2-Salicyl-3α-(1-pyrenyl)-5β-(hydroxymethyl)isoxazolidine-4β-sulfonic acid 4,5-sultone
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