Chem
J-GLOBAL ID：200907010907683147   Nikkaji number：J356.232H

Deoxyparguerol

デオキシパルゲロール
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： C22H33BrO4
Molecular formula furigana： C22-H33-BR-O4
Molecular weight： 441.406
InChI： InChI=1S/C22H33BrO4/c1-12(25)27-17-10-22(4)14-5-6-20(2,19(23)11-24)8-13(14)16(26)7-18(22)21(3)9-15(17)21/h5,13,15-19,24,26H,6-11H2,1-4H3/t13-,15+,16-,17-,18-,19+,20+,21+,22+/m1/s1
InChI key： UVYAPBDOYMZESV-UCUHEJSZSA-N
SMILES： CC(=O)O[C@@H]1C[C@]2(C)[C@H](C[C@@H](O)[C@@H]3C[C@](C)(CC=C23)[C@@H](Br)CO)[C@@]2(C)C[C@@H]12
Systematic name  (3)：
  • (1aR,βR)-3β-ヒドロキシ-1aβ,5,7bβ-トリメチル-9β-アセチルオキシ-1a,1bα,2,3,3aβ,4,5,6,7b,8,9,9aβ-ドデカヒドロ-β-ブロモ-1H-シクロプロパ[a]フェナントレン-5β-エタノール
  • (1aR,1bR,3R,3aR,5S,7bR,9R,9aR)-5-[(1R)-1-ブロモ-2-ヒドロキシエチル]-3-ヒドロキシ-1a,5,7b-トリメチル-1H,1aH,1bH,2H,3H,3aH,4H,5H,6H,7bH,8H,9H,9aH-シクロプロパ[a]フェナントレン-9-イル アセタート
  • (1aR,1bR,3R,3aR,5S,7bR,9R,9aR)-5-[(1R)-1-bromo-2-hydroxyethyl]-3-hydroxy-1a,5,7b-trimethyl-1H,1aH,1bH,2H,3H,3aH,4H,5H,6H,7bH,8H,9H,9aH-cyclopropa[a]phenanthren-9-yl acetate
Other name (3)：
  • (1aR,βR)-3β-Hydroxy-1aβ,5,7bβ-trimethyl-9β-acetyloxy-1a,1bα,2,3,3aβ,4,5,6,7b,8,9,9aβ-dodecahydro-β-bromo-1H-cyclopropa[a]phenanthrene-5β-ethanol
  • デオキシパルゲロール
  • Deoxyparguerol
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