Chem
J-GLOBAL ID：200907042001285038   Nikkaji number：J486.572C

6-[2β-(2-Chlorophenyl)-6β-(2-hydroxyphenyl)-1,3-dioxan-5β-yl]-4-hexenoic acid

6-[2β-(2-クロロフェニル)-6β-(2-ヒドロキシフェニル)-1,3-ジオキサン-5β-イル]-4-ヘキセン酸
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： C22H23ClO5
Molecular formula furigana： C22-H23-CL-O5
Molecular weight： 402.870
InChI： InChI=1S/C22H23ClO5/c23-18-11-6-4-9-16(18)22-27-14-15(8-2-1-3-13-20(25)26)21(28-22)17-10-5-7-12-19(17)24/h1-2,4-7,9-12,15,21-22,24H,3,8,13-14H2,(H,25,26)/t15-,21+,22+/m1/s1
InChI key： WHUIENZXNGAHQI-YDFBLROQSA-N
SMILES： OC(=O)CCC=CC[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccccc1Cl
Systematic name  (3)：
  • 6-[2β-(2-クロロフェニル)-6β-(2-ヒドロキシフェニル)-1,3-ジオキサン-5β-イル]-4-ヘキセン酸
  • 6-[(2S,4S,5R)-2-(2-クロロフェニル)-4-(2-ヒドロキシフェニル)-1,3-ジオキサン-5-イル]ヘキサ-4-エン酸
  • 6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
Other name (1)：
  • 6-[2β-(2-Chlorophenyl)-6β-(2-hydroxyphenyl)-1,3-dioxan-5β-yl]-4-hexenoic acid
Thsaurus map：
Thesaurus Map

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