Chem
J-GLOBAL ID：200907011524019991   Nikkaji number：J82.314G

α-Gitoxigenone

α-ギトキシゲノン
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： C23H30O5
Molecular formula furigana： C23-H30-O5
Molecular weight： 386.488
InChI： InChI=1S/C23H30O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14,16-17,20,27H,3-8,10-12H2,1-2H3/t14-,16+,17-,20+,21+,22-,23+/m1/s1
InChI key： SFGJDEAWBREBEK-MFRGXPBWSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@]1(O)CC(=O)[C@@H]2C1=CC(=O)OC1
Systematic name  (3)：
  • 14-ヒドロキシ-3,16-ジオキソ-5β-カルダ-20(22)-エノリド
  • (1R,3aS,3bR,5aR,9aS,9bS,11aR)-3a-ヒドロキシ-9a,11a-ジメチル-1-(5-オキソ-2,5-ジヒドロフラン-3-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-2,7-ジオン
  • (1R,3aS,3bR,5aR,9aS,9bS,11aR)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,7-dione
Other name (3)：
  • α-ギトキシゲノン
  • α-Gitoxigenone
  • 14-Hydroxy-3,16-dioxo-5β-card-20(22)-enolide
CAS registry number： 2779-57-9
Thsaurus map：
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