Chem
J-GLOBAL ID：200907009023819071   Nikkaji number：J1.579.029F

ONO-AE1-437

(8R,13E,15S)-9-オキソ-11α,15-ジヒドロキシ-16-[3-(メトキシメチル)フェニル]-5-チア-17,18,19,20-テトラノルプロスタ-13-エン-1-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： C23H32O6S
Molecular formula furigana： C23-H32-O6-S
Molecular weight： 436.560
InChI： InChI=1S/C23H32O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-21,24-25H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-/m1/s1
InChI key： ORSJUPRAHPZYRL-XHTUOEPPSA-N
SMILES： COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)O)c1
Systematic name  (4)：
  • 4-[2-[(1R)-2β-[(1E,3S)-3-ヒドロキシ-4-[3-(メトキシメチル)フェニル]-1-ブテニル]-3α-ヒドロキシ-5-オキソシクロペンタン-1α-イル]エチルチオ]ブタン酸
  • (8R,13E,15S)-9-オキソ-11α,15-ジヒドロキシ-16-[3-(メトキシメチル)フェニル]-5-チア-17,18,19,20-テトラノルプロスタ-13-エン-1-酸
  • 4-({2-[(1R,2R,3R)-3-ヒドロキシ-2-[(1E,3S)-3-ヒドロキシ-4-[3-(メトキシメチル)フェニル]ブタ-1-エン-1-イル]-5-オキソシクロペンチル]エチル}スルファニル)ブタン酸
  • 4-({2-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-en-1-yl]-5-oxocyclopentyl]ethyl}sulfanyl)butanoic acid
Other name (3)：
  • 4-[2-[(1R)-2β-[(1E,3S)-3-Hydroxy-4-[3-(methoxymethyl)phenyl]-1-butenyl]-3α-hydroxy-5-oxocyclopentane-1α-yl]ethylthio]butanoic acid
  • (8R,13E,15S)-9-Oxo-11α,15-dihydroxy-16-[3-(methoxymethyl)phenyl]-5-thia-17,18,19,20-tetranorprosta-13-ene-1-oic acid
  • ONO-AE1-437
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