Chem
J-GLOBAL ID：200907020508882409   Nikkaji number：J1.271.629J

9β-Fluoro-11β,21-dihydroxy-16α,17-(isopropylidenebisoxy)pregna-1,4-diene-3,20-dione

9β-フルオロ-11β,21-ジヒドロキシ-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
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： C24H31FO6
Molecular formula furigana： C24-H31-F-O6
Molecular weight： 434.504
InChI： InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23+,24+/m0/s1
InChI key： YNDXUCZADRHECN-UWWNLYLSSA-N
SMILES： CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
Systematic name  (3)：
  • 9β-フルオロ-11β,21-ジヒドロキシ-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
  • (1S,2S,4R,8S,9S,11S,12S,13S)-12-フルオロ-11-ヒドロキシ-8-(2-ヒドロキシアセチル)-6,6,9,13-テトラメチル-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-16-オン
  • (1S,2S,4R,8S,9S,11S,12S,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Other name (1)：
  • 9β-Fluoro-11β,21-dihydroxy-16α,17-(isopropylidenebisoxy)pregna-1,4-diene-3,20-dione
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