Chem
J-GLOBAL ID：200907090962379051   Nikkaji number：J355.601H

2-Deacetoxydeoxyparguerol

2-デアセトキシ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： C20H31BrO2
Molecular formula furigana： C20-H31-BR-O2
Molecular weight： 383.370
InChI： InChI=1S/C20H31BrO2/c1-18(17(21)11-22)6-5-14-13(10-18)15(23)8-16-19(14,2)7-4-12-9-20(12,16)3/h5,12-13,15-17,22-23H,4,6-11H2,1-3H3/t12-,13-,15-,16+,17+,18+,19+,20+/m1/s1
InChI key： IGLIAOHRQDMKEI-UBXGAJKGSA-N
SMILES： C[C@]12C[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2C[C@](C)(CC=C12)[C@@H](Br)CO
Systematic name  (3)：
  • (1aS,βR)-3β-ヒドロキシ-1aβ,5,7bβ-トリメチル-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
  • (1aS,1bR,3R,3aR,5S,7bR,9aR)-5-[(1R)-1-ブロモ-2-ヒドロキシエチル]-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-3-オール
  • (1aS,1bR,3R,3aR,5S,7bR,9aR)-5-[(1R)-1-bromo-2-hydroxyethyl]-1a,5,7b-trimethyl-1H,1aH,1bH,2H,3H,3aH,4H,5H,6H,7bH,8H,9H,9aH-cyclopropa[a]phenanthren-3-ol
Other name (3)：
  • (1aS,βR)-3β-Hydroxy-1aβ,5,7bβ-trimethyl-1a,1bα,2,3,3aβ,4,5,6,7b,8,9,9aβ-dodecahydro-β-bromo-1H-cyclopropa[a]phenanthrene-5β-ethanol
  • 2-デアセトキシデオキシパルゲロール
  • 2-Deacetoxydeoxyparguerol
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