Chem
J-GLOBAL ID:200907049415672526   Nikkaji number:J1.191.054H

(17R)-3,3′-Dioxo-4′,11β-dihydroxy-9-fluorospiro[androsta-1,4-diene-17,2′(3′H)-furan]-5′-carboxylic acid ethyl ester

(17R)-3,3′-ジオキソ-4′,11β-ジヒドロキシ-9-フルオロスピロ[アンドロスタ-1,4-ジエン-17,2′(3′H)-フラン]-5′-カルボン酸エチル
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: C25H29FO7
Molecular formula furigana: C25-H29-F-O7
Molecular weight: 460.498
InChI: InChI=1S/C25H29FO7/c1-4-32-21(31)19-18(29)20(30)24(33-19)10-8-15-16-6-5-13-11-14(27)7-9-22(13,2)25(16,26)17(28)12-23(15,24)3/h7,9,11,15-17,28-29H,4-6,8,10,12H2,1-3H3/t15-,16-,17-,22-,23-,24-,25-/m0/s1
InChI key: KXZWAPZDDYGMOV-GCQMRMBLSA-N
SMILES: CCOC(=O)C1=C(O)C(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C)O1
Systematic name  (3):
  • (17R)-3,3′-ジオキソ-4′,11β-ジヒドロキシ-9-フルオロスピロ[アンドロスタ-1,4-ジエン-17,2′(3′H)-フラン]-5′-カルボン酸エチル
  • エチル (1R,3aS,3bS,9aS,9bR,10S,11aS)-9b-フルオロ-4',10-ジヒドロキシ-9a,11a-ジメチル-3',7-ジオキソ-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]-5'-カルボキシラート
  • ethyl (1R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-4',10-dihydroxy-9a,11a-dimethyl-3',7-dioxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-1,2'-furan]-5'-carboxylate
Other name (1):
  • (17R)-3,3′-Dioxo-4′,11β-dihydroxy-9-fluorospiro[androsta-1,4-diene-17,2′(3′H)-furan]-5′-carboxylic acid ethyl ester
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