Chem
J-GLOBAL ID：200907001614691227   Nikkaji number：J19.891I

Helveticone

ヘルベチコン
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： C21H28O4
Molecular formula furigana： C21-H28-O4
Molecular weight： 344.451
InChI： InChI=1S/C21H28O4/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17-20(24)18(22)13-19(23)21(17)25/h7,9,11,13,22,25H,5-6,8,10,12H2,1-4H3
InChI key： ADRVEZVEKSCRHP-UHFFFAOYSA-N
SMILES： CC(=CCCC(=CCCC(=CCC1=C(O)C(=O)C=C(O)C1=O)C)C)C
Systematic name  (3)：
  • 2,5-ジヒドロキシ-3-(3,7,11-トリメチル-2,6,10-ドデカトリエニル)-2,5-シクロヘキサジエン-1,4-ジオン
  • 2,5-ジヒドロキシ-3-(3,7,11-トリメチルドデカ-2,6,10-トリエン-1-イル)シクロヘキサ-2,5-ジエン-1,4-ジオン
  • 2,5-dihydroxy-3-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)cyclohexa-2,5-diene-1,4-dione
Other name (3)：
  • ヘルベチコン
  • Helveticone
  • 2,5-Dihydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-2,5-cyclohexadiene-1,4-dione
CAS registry number： 32916-10-2
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