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Chem
J-GLOBAL ID:200907037814833276   Nikkaji number:J130.680D

Isohumulone

イソフムロン
Clips
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: C21H30O5
Molecular formula furigana: C21-H30-O5
Molecular weight: 362.466
InChI: InChI=1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3
InChI key: QARXXMMQVDCYGZ-UHFFFAOYSA-N
SMILES: CC(C)CC(=O)C1=C(O)C(O)(C(CC=C(C)C)C1=O)C(=O)CC=C(C)C
Systematic name  (6):
  • 3,4-ジヒドロキシ-5-(3-メチル-2-ブテニル)-2-(3-メチル-1-オキソブチル)-4-(4-メチル-1-オキソ-3-ペンテニル)-2-シクロペンテン-1-オン
  • 2-(1-オキソ-3-メチルブチル)-3,4-ジヒドロキシ-4-(1-オキソ-4-メチル-3-ペンテニル)-5-プレニル-2-シクロペンテン-1-オン
  • 2-(3-メチルブタノイル)-3,4-ジヒドロキシ-4-(4-メチル-3-ペンテノイル)-5-(3-メチル-2-ブテニル)-2-シクロペンテン-1-オン
  • 2-(3-メチルブチリル)-3,4-ジヒドロキシ-5-(3-メチル-2-ブテニル)-4-(4-メチル-3-ペンテノイル)-2-シクロペンテン-1-オン
  • 3,4-ジヒドロキシ-5-(3-メチルブタ-2-エン-1-イル)-2-(3-メチルブタノイル)-4-(4-メチルペンタ-3-エノイル)シクロペンタ-2-エン-1-オン
Show all
Other name (6):
  • イソフムロン
  • Isohumulone
  • 3,4-Dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-2-cyclopenten-1-one
  • 2-(1-Oxo-3-methylbutyl)-3,4-dihydroxy-4-(1-oxo-4-methyl-3-pentenyl)-5-prenyl-2-cyclopentene-1-one
  • 2-(3-Methylbutanoyl)-3,4-dihydroxy-4-(4-methyl-3-pentenoyl)-5-(3-methyl-2-butenyl)-2-cyclopentene-1-one
Show all
CAS registry number: 25522-96-7
Regulation number (1):
  • EINECS2470721
Thsaurus map:
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