Chem
J-GLOBAL ID：200907061249951691   Nikkaji number：J292.914G

Isosophoranone

イソソホラノン
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： C26H30O6
Molecular formula furigana： C26-H30-O6
Molecular weight： 438.520
InChI： InChI=1S/C26H30O6/c1-14(2)6-8-17-21(28)12-22-23(24(17)29)25(30)19(13-32-22)16-10-11-20(27)18(26(16)31-5)9-7-15(3)4/h6-7,10-12,19,27-29H,8-9,13H2,1-5H3
InChI key： ARNVYCOTFWJTBS-UHFFFAOYSA-N
SMILES： COc1c(CC=C(C)C)c(O)ccc1C1COc2cc(O)c(CC=C(C)C)c(O)c2C1=O
Systematic name  (3)：
  • 2,3-ジヒドロ-5,7-ジヒドロキシ-3-[4-ヒドロキシ-3-(3-メチル-2-ブテニル)-2-メトキシフェニル]-6-(3-メチル-2-ブテニル)-4H-1-ベンゾピラン-4-オン
  • 5,7-ジヒドロキシ-3-[4-ヒドロキシ-2-メトキシ-3-(3-メチルブタ-2-エン-1-イル)フェニル]-6-(3-メチルブタ-2-エン-1-イル)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • 5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
Other name (3)：
  • イソソホラノン
  • Isosophoranone
  • 2,3-Dihydro-5,7-dihydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)-2-methoxyphenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
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