Chem
J-GLOBAL ID:200907024922431350   Nikkaji number:J2.762.877J

Klysimplexin F

クリシンプレキシンF
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: C26H44O8
Molecular formula furigana: C26-H44-O8
Molecular weight: 484.630
InChI: InChI=1S/C26H44O8/c1-8-9-19(30)34-25(6)11-10-18(29)24(5,31)13-17-22-21(23(25)32-17)20(14(2)3)16(28)12-26(22,7)33-15(4)27/h14,16-18,20-23,28-29,31H,8-13H2,1-7H3/t16-,17-,18+,20+,21-,22-,23-,24+,25-,26-/m1/s1
InChI key: HYZSFQYDTXGBOB-ZXOVFTRWSA-N
SMILES: CCCC(=O)O[C@]1(C)CC[C@H](O)[C@@](C)(O)C[C@H]2O[C@@H]1[C@H]1[C@@H]2[C@@](C)(C[C@@H](O)[C@@H]1C(C)C)OC(=O)C
Systematic name  (3):
  • (1α,10α)-3β,7,11β-トリメチル-3-(ブタノイルオキシ)-11-アセトキシ-14α-イソプロピル-2β,9β-エポキシビシクロ[8.4.0]テトラデカン-6α,7β,13β-トリオール
  • (1R,2S,3R,5R,6R,7R,8R,9R,12S,13S)-3-(アセチルオキシ)-5,12,13-トリヒドロキシ-3,9,13-トリメチル-6-(プロパン-2-イル)-15-オキサトリシクロ[6.6.1.02,7]ペンタデカン-9-イル ブタノアート
  • (1R,2S,3R,5R,6R,7R,8R,9R,12S,13S)-3-(acetyloxy)-5,12,13-trihydroxy-3,9,13-trimethyl-6-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl butanoate
Other name (3):
  • (1α,10α)-3β,7,11β-Trimethyl-3-(butanoyloxy)-11-acetoxy-14α-isopropyl-2β,9β-epoxybicyclo[8.4.0]tetradecane-6α,7β,13β-triol
  • クリシンプレキシンF
  • Klysimplexin F
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