Chem
J-GLOBAL ID：200907053638499270   Nikkaji number：J196.186A

9-Fluoro-11β,17-dihydroxy-16α-methyl-21-sodiosulfooxypregna-1,4-diene-3,20-dione

9-フルオロ-11β,17-ジヒドロキシ-16α-メチル-21-ソジオスルホオキシプレグナ-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： C22H28FNaO8S
Molecular formula furigana： C22-H28-F-NA-O8-S
Molecular weight： 494.510
InChI： InChI=1S/C22H29FO8S.Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30);/q;+1/p-1/t12-,15+,16+,17+,19+,20+,21+,22+;/m1./s1
InChI key： DVVRRDZBTZGGCT-WKSAPEMMSA-M
SMILES： C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COS(=O)(=O)O[Na]
Systematic name  (3)：
  • 9-フルオロ-11β,17-ジヒドロキシ-16α-メチル-21-ソジオスルホオキシプレグナ-1,4-ジエン-3,20-ジオン
  • (1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-フルオロ-1,10-ジヒドロキシ-2,9a,11a-トリメチル-1-(2-{[(ソジオオキシ)スルホニル]オキシ}アセチル)-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1-(2-{[(sodiooxy)sulfonyl]oxy}acetyl)-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1)：
  • 9-Fluoro-11β,17-dihydroxy-16α-methyl-21-sodiosulfooxypregna-1,4-diene-3,20-dione
CAS registry number： 466-11-5
Regulation number (1)：
  • EINECS2073746
KEGG DRUG： D07798
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