Chem
J-GLOBAL ID：200907019005371492   Nikkaji number：J53.974K

Filicin

フィリシン
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： C36H44O12
Molecular formula furigana： C36-H44-O12
Molecular weight： 668.736
InChI： InChI=1S/C36H44O12/c1-8-11-20(37)23-27(41)16(14-18-29(43)24(21(38)12-9-2)33(47)35(4,5)31(18)45)26(40)17(28(23)42)15-19-30(44)25(22(39)13-10-3)34(48)36(6,7)32(19)46/h40-42,45-48H,8-15H2,1-7H3
InChI key： CBJLTLWLKQTVHD-UHFFFAOYSA-N
SMILES： CCCC(=O)C1=C(O)C(C)(C)C(=C(Cc2c(O)c(CC3=C(O)C(C)(C)C(=C(C(=O)CCC)C3=O)O)c(O)c(C(=O)CCC)c2O)C1=O)O
Systematic name  (3)：
  • 2,2′-[[2,4,6-トリヒドロキシ-5-(1-オキソブチル)-1,3-フェニレン]ビス(メチレン)]ビス[3,5-ジヒドロキシ-4,4-ジメチル-6-(1-オキソブチル)-2,5-シクロヘキサジエン-1-オン]
  • 2-ブタノイル-6-({3-ブタノイル-5-[(5-ブタノイル-2,4-ジヒドロキシ-3,3-ジメチル-6-オキソシクロヘキサ-1,4-ジエン-1-イル)メチル]-2,4,6-トリヒドロキシフェニル}メチル)-3,5-ジヒドロキシ-4,4-ジメチルシクロヘキサ-2,5-ジエン-1-オン
  • 2-butanoyl-6-({3-butanoyl-5-[(5-butanoyl-2,4-dihydroxy-3,3-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
Other name (8)：
  • フィリシン
  • フィリックス酸BBB
  • フィリックス酸
  • Filixic acid
  • Filixic acid BBB
Show all
CAS registry number： 4482-83-1
Regulation number (2)：
  • LK4250000
  • EINECS2247662
KEGG COMPOUND： C10693
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM