Chem
J-GLOBAL ID：201707006664262194   Nikkaji number：J3.590.918D

ONO-9054

(5aR,6R,7R,8aS)-6-[(3R)-4-(2,5-ジフルオロフェノキシ)-3-ヒドロキシブタ-1-エン-1-イル]-オクタヒドロ-2H-シクロペンタ[b]オキセピン-7-オール
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： C19H24F2O4
Molecular formula furigana： C19-H24-F2-O4
Molecular weight： 354.394
InChI： InChI=1S/C19H24F2O4/c20-12-4-7-16(21)19(9-12)25-11-13(22)5-6-14-15-3-1-2-8-24-18(15)10-17(14)23/h4-7,9,13-15,17-18,22-23H,1-3,8,10-11H2/t13-,14-,15-,17-,18+/m1/s1
InChI key： MOSKVYKKCAGETQ-RKYPPNDESA-N
SMILES： O[C@@H](COc1cc(F)ccc1F)C=C[C@H]1[C@H](O)C[C@@H]2OCCCC[C@H]12
Systematic name  (3)：
  • 3,4,5,5aβ,6,7,8,8aβ-オクタヒドロ-7α-ヒドロキシ-6β-[(R)-4-(2,5-ジフルオロフェニルオキシ)-3-ヒドロキシ-1-ブテニル]-2H-シクロペンタ[b]オキセピン
  • (5aR,6R,7R,8aS)-6-[(3R)-4-(2,5-ジフルオロフェノキシ)-3-ヒドロキシブタ-1-エン-1-イル]-オクタヒドロ-2H-シクロペンタ[b]オキセピン-7-オール
  • (5aR,6R,7R,8aS)-6-[(3R)-4-(2,5-difluorophenoxy)-3-hydroxybut-1-en-1-yl]-octahydro-2H-cyclopenta[b]oxepin-7-ol
Other name (2)：
  • 3,4,5,5aβ,6,7,8,8aβ-Octahydro-7α-hydroxy-6β-[(R)-4-(2,5-difluorophenyloxy)-3-hydroxy-1-butenyl]-2H-cyclopenta[b]oxepin
  • ONO-9054
Thsaurus map：
Thesaurus Map

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