Chem
J-GLOBAL ID：201507097349870577   Nikkaji number：J3.339.683J

ONO-AE1-259-01

(Z)-7-[(1R)-2β-[(1E,4S)-4-ヒドロキシ-4-(1-アリルシクロブチル)-1-ブテニル]-3α-ヒドロキシ-5β-クロロシクロペンチル]-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： C23H35ClO4
Molecular formula furigana： C23-H35-CL-O4
Molecular weight： 410.980
InChI： InChI=1S/C23H35ClO4/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h2-3,5,7,10,17-21,25-26H,1,4,6,8-9,11-16H2,(H,27,28)/b5-3-,10-7+/t17-,18-,19-,20-,21+/m1/s1
InChI key： XXTBGKDWFYXGDZ-KJCKJCAZSA-N
SMILES： O[C@@H](C/C=C/[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C/C=C\CCCC(=O)O)C1(CC=C)CCC1
Systematic name  (3)：
  • (Z)-7-[(1R)-2β-[(1E,4S)-4-ヒドロキシ-4-(1-アリルシクロブチル)-1-ブテニル]-3α-ヒドロキシ-5β-クロロシクロペンチル]-5-ヘプテン酸
  • (5Z)-7-[(1R,2R,3R,5R)-5-クロロ-3-ヒドロキシ-2-[(1E,4S)-4-ヒドロキシ-4-[1-(プロパ-2-エン-1-イル)シクロブチル]ブタ-1-エン-1-イル]シクロペンチル]ヘプタ-5-エン酸
  • (5Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[(1E,4S)-4-hydroxy-4-[1-(prop-2-en-1-yl)cyclobutyl]but-1-en-1-yl]cyclopentyl]hept-5-enoic acid
Other name (2)：
  • (Z)-7-[(1R)-2β-[(1E,4S)-4-Hydroxy-4-(1-allylcyclobutyl)-1-butenyl]-3α-hydroxy-5β-chlorocyclopentyl]-5-heptenoic acid
  • ONO-AE1-259-01
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