Chem
J-GLOBAL ID：201407084680488141   Nikkaji number：J3.225.171D

(3aR)-5α-[(S)-α-Hydroxy-4-bromobenzyl]-6α-hydroxy-3aα,5,6,6aα-tetrahydrofuro[3,2-b]furan-2(3H)-one

(3aR,5R,6S,6aR)-5-[(S)-(4-ブロモフェニル)(ヒドロキシ)メチル]-6-ヒドロキシ-ヘキサヒドロフロ[3,2-b]フラン-2-オン
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： C13H13BrO5
Molecular formula furigana： C13-H13-BR-O5
Molecular weight： 329.146
InChI： InChI=1S/C13H13BrO5/c14-7-3-1-6(2-4-7)10(16)13-11(17)12-8(18-13)5-9(15)19-12/h1-4,8,10-13,16-17H,5H2/t8-,10+,11-,12+,13-/m1/s1
InChI key： SGSWMLZLYIPNHN-YBPUZQHNSA-N
SMILES： O[C@H]([C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O)c1ccc(Br)cc1
Systematic name  (3)：
  • (3aR)-5α-[(S)-α-ヒドロキシ-4-ブロモベンジル]-6α-ヒドロキシ-3aα,5,6,6aα-テトラヒドロフロ[3,2-b]フラン-2(3H)-オン
  • (3aR,5R,6S,6aR)-5-[(S)-(4-ブロモフェニル)(ヒドロキシ)メチル]-6-ヒドロキシ-ヘキサヒドロフロ[3,2-b]フラン-2-オン
  • (3aR,5R,6S,6aR)-5-[(S)-(4-bromophenyl)(hydroxy)methyl]-6-hydroxy-hexahydrofuro[3,2-b]furan-2-one
Other name (1)：
  • (3aR)-5α-[(S)-α-Hydroxy-4-bromobenzyl]-6α-hydroxy-3aα,5,6,6aα-tetrahydrofuro[3,2-b]furan-2(3H)-one
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