Chem
J-GLOBAL ID:200907050405995546   Nikkaji number:J253.714A

9α-Fluoro-11β-hydroxy-16β-methyl-5′-butyl-4′-propylthio-spiro[1,4-androstadiene-17,2′(3′H)-furan]-3,3′-dione

9α-フルオロ-11β-ヒドロキシ-16β-メチル-5′-ブチル-4′-プロピルチオ-スピロ[1,4-アンドロスタジエン-17,2′(3′H)-フラン]-3,3′-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: C30H41FO4S
Molecular formula furigana: C30-H41-F-O4-S
Molecular weight: 516.710
InChI: InChI=1S/C30H41FO4S/c1-6-8-9-23-25(36-14-7-2)26(34)30(35-23)18(3)15-22-21-11-10-19-16-20(32)12-13-27(19,4)29(21,31)24(33)17-28(22,30)5/h12-13,16,18,21-22,24,33H,6-11,14-15,17H2,1-5H3/t18-,21-,22-,24-,27-,28-,29-,30?/m0/s1
InChI key: QEFYAZZVLCXFIS-VIPAAQKQSA-N
SMILES: CCCCC1=C(SCCC)C(=O)C2(O1)[C@@H](C)C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C
Systematic name  (3):
  • 9α-フルオロ-11β-ヒドロキシ-16β-メチル-5′-ブチル-4′-プロピルチオ-スピロ[1,4-アンドロスタジエン-17,2′(3′H)-フラン]-3,3′-ジオン
  • (2S,3aS,3bS,9aS,9bR,10S,11aS)-5'-ブチル-9b-フルオロ-10-ヒドロキシ-2,9a,11a-トリメチル-4'-(プロピルスルファニル)-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-ドデカヒドロ-3'H-スピロ[シクロペンタ[a]フェナントレン-1,2'-フラン]-3',7-ジオン
  • (2S,3aS,3bS,9aS,9bR,10S,11aS)-5'-butyl-9b-fluoro-10-hydroxy-2,9a,11a-trimethyl-4'-(propylsulfanyl)-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-1,2'-furan]-3',7-dione
Other name (1):
  • 9α-Fluoro-11β-hydroxy-16β-methyl-5′-butyl-4′-propylthio-spiro[1,4-androstadiene-17,2′(3′H)-furan]-3,3′-dione
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