Chem
J-GLOBAL ID：200907003361385739   Nikkaji number：J10.302K

RS-2386

シプロシノニド
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： C28H34F2O7
Molecular formula furigana： C28-H34-F2-O7
Molecular weight： 520.570
InChI： InChI=1S/C28H34F2O7/c1-24(2)36-22-11-16-17-10-19(29)18-9-15(31)7-8-25(18,3)27(17,30)20(32)12-26(16,4)28(22,37-24)21(33)13-35-23(34)14-5-6-14/h7-9,14,16-17,19-20,22,32H,5-6,10-13H2,1-4H3/t16-,17-,19-,20-,22+,25-,26-,27-,28+/m0/s1
InChI key： TZBDXWBBMOEVPI-XBQQDWOSSA-N
SMILES： CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)C1CC1
Systematic name  (3)：
  • 6α,9-ジフルオロ-11β-ヒドロキシ-21-[(シクロプロピルカルボニル)オキシ]-16α,17-[イソプロピリデンビス(オキシ)]プレグナ-1,4-ジエン-3,20-ジオン
  • 2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-ジフルオロ-11-ヒドロキシ-6,6,9,13-テトラメチル-16-オキソ-5,7-ジオキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-14,17-ジエン-8-イル]-2-オキソエチル シクロプロパンカルボキシラート
  • 2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl cyclopropanecarboxylate
Other name (4)：
  • シプロシノニド
  • RS-2386
  • Ciprocinonide
  • 6α,9-Difluoro-11β-hydroxy-21-[(cyclopropylcarbonyl)oxy]-16α,17-[isopropylidenebis(oxy)]pregna-1,4-diene-3,20-dione
CAS registry number： 58524-83-7
Regulation number (1)：
  • EINECS2613075
KEGG DRUG： D03520
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