Chem
J-GLOBAL ID：200907055672722070   Nikkaji number：J5.920J

Lupulon

ルプロン
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： C26H38O4
Molecular formula furigana： C26-H38-O4
Molecular weight： 414.586
InChI： InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28,30H,10,13-15H2,1-8H3
InChI key： WPVSVIXDXMNGGN-UHFFFAOYSA-N
SMILES： CC(C)CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(=C1O)CC=C(C)C
Systematic name  (3)：
  • 3,5-ジヒドロキシ-2,6,6-トリス(3-メチル-2-ブテニル)-4-(3-メチル-1-オキソブチル)-2,4-シクロヘキサジエン-1-オン
  • 3,5-ジヒドロキシ-2,6,6-トリス(3-メチルブタ-2-エン-1-イル)-4-(3-メチルブタノイル)シクロヘキサ-2,4-ジエン-1-オン
  • 3,5-dihydroxy-2,6,6-tris(3-methylbut-2-en-1-yl)-4-(3-methylbutanoyl)cyclohexa-2,4-dien-1-one
Other name (6)：
  • ルプロン
  • β-ルプル酸
  • Lupulon
  • β-Lupulic acid
  • 3,5-Dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one
Show all
CAS registry number： 468-28-0
Regulation number (2)：
  • OK5950000
  • EINECS2074053
KEGG COMPOUND： C10706
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