Chem
J-GLOBAL ID：200907022201523838   Nikkaji number：J389.185B

(5Z)-7-[(1β,4β)-3α-[(3R,1E)-3-Hydroxy-4-(4-fluorophenoxy)-1-buten-1-yl]-7-oxabicyclo[2.2.1]heptan-2β-yl]-5-heptenoic acid

(5Z)-7-[(1β,4β)-3α-[(3R,1E)-3-ヒドロキシ-4-(4-フルオロフェノキシ)-1-ブテン-1-イル]-7-オキサビシクロ[2.2.1]ヘプタン-2β-イル]-5-ヘプテン酸
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： C23H29FO5
Molecular formula furigana： C23-H29-F-O5
Molecular weight： 404.478
InChI： InChI=1S/C23H29FO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19+,20+,21-,22+/m1/s1
InChI key： JEUSDRLWFSRHSX-XIXKPZIUSA-N
SMILES： O[C@@H](COc1ccc(F)cc1)/C=C/[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C/C=C\CCCC(=O)O
Systematic name  (3)：
  • (5Z)-7-[(1β,4β)-3α-[(3R,1E)-3-ヒドロキシ-4-(4-フルオロフェノキシ)-1-ブテン-1-イル]-7-オキサビシクロ[2.2.1]ヘプタン-2β-イル]-5-ヘプテン酸
  • (5Z)-7-[(1R,2S,3S,4S)-3-[(1E,3R)-4-(4-フルオロフェノキシ)-3-ヒドロキシブタ-1-エン-1-イル]-7-オキサビシクロ[2.2.1]ヘプタン-2-イル]ヘプタ-5-エン酸
  • (5Z)-7-[(1R,2S,3S,4S)-3-[(1E,3R)-4-(4-fluorophenoxy)-3-hydroxybut-1-en-1-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Other name (1)：
  • (5Z)-7-[(1β,4β)-3α-[(3R,1E)-3-Hydroxy-4-(4-fluorophenoxy)-1-buten-1-yl]-7-oxabicyclo[2.2.1]heptan-2β-yl]-5-heptenoic acid
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