Chem
J-GLOBAL ID：200907046833467905   Nikkaji number：J8.275I

SQ 15102

アムシナファル
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： C26H35FO6
Molecular formula furigana： C26-H35-F-O6
Molecular weight： 462.558
InChI： InChI=1S/C26H35FO6/c1-5-24(6-2)32-21-12-18-17-8-7-15-11-16(29)9-10-22(15,3)25(17,27)19(30)13-23(18,4)26(21,33-24)20(31)14-28/h9-11,17-19,21,28,30H,5-8,12-14H2,1-4H3/t17-,18-,19-,21+,22-,23-,25-,26+/m0/s1
InChI key： NSZFBGIRFCHKOE-LFZVSNMSSA-N
SMILES： CCC1(CC)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)：
  • 9-フルオロ-11β,21-ジヒドロキシ-16α,17-[(1-エチルプロピリデン)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,12R,13S)-6,6-ジエチル-12-フルオロ-11-ヒドロキシ-8-(2-ヒドロキシアセチル)-9,13-ジメチル-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,12R,13S)-6,6-diethyl-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Other name (4)：
  • アムシナファル
  • SQ 15102
  • Amcinafal
  • 9-Fluoro-11β,21-dihydroxy-16α,17-[(1-ethylpropylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
CAS registry number： 3924-70-7
Regulation number (1)：
  • EINECS2234978
KEGG DRUG： D02886
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