Chem
J-GLOBAL ID：200907050013006668   Nikkaji number：J711.486I

(2S,3S)-2-(3,5-Dimethoxy-4-hydroxybenzyl)-3-(1,3-benzodioxol-5-ylmethyl)-4-iodobutyric acid ethyl ester

(2S,3S)-2-(3,5-ジメトキシ-4-ヒドロキシベンジル)-3-(1,3-ベンゾジオキソール-5-イルメチル)-4-ヨード酪酸エチル
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： C23H27IO7
Molecular formula furigana： C23-H27-I-O7
Molecular weight： 542.366
InChI： InChI=1S/C23H27IO7/c1-4-29-23(26)17(8-15-10-20(27-2)22(25)21(11-15)28-3)16(12-24)7-14-5-6-18-19(9-14)31-13-30-18/h5-6,9-11,16-17,25H,4,7-8,12-13H2,1-3H3/t16-,17+/m1/s1
InChI key： AKGXITISIZGILZ-SJORKVTESA-N
SMILES： CCOC(=O)[C@@H](Cc1cc(OC)c(O)c(OC)c1)[C@@H](CI)Cc1ccc2OCOc2c1
Systematic name  (3)：
  • (2S,3S)-2-(3,5-ジメトキシ-4-ヒドロキシベンジル)-3-(1,3-ベンゾジオキソール-5-イルメチル)-4-ヨード酪酸エチル
  • エチル (2S,3S)-3-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-2-[(4-ヒドロキシ-3,5-ジメトキシフェニル)メチル]-4-ヨードブタノアート
  • ethyl (2S,3S)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-iodobutanoate
Other name (1)：
  • (2S,3S)-2-(3,5-Dimethoxy-4-hydroxybenzyl)-3-(1,3-benzodioxol-5-ylmethyl)-4-iodobutyric acid ethyl ester
Thsaurus map：
Thesaurus Map

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