Chem
J-GLOBAL ID：201707009209732092   Nikkaji number：J3.575.001K

Ilicicolinic acid A

イリシコリン酸A
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： C23H31ClO4
Molecular formula furigana： C23-H31-CL-O4
Molecular weight： 406.950
InChI： InChI=1S/C23H31ClO4/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-18-21(25)19(23(27)28)17(5)20(24)22(18)26/h8,10,12,25-26H,6-7,9,11,13H2,1-5H3,(H,27,28)/b15-10+,16-12+
InChI key： KRSHXWRHUWEJOO-NCZFFCEISA-N
SMILES： CC(=CCC/C(=C/CC/C(=C/Cc1c(O)c(Cl)c(C)c(C(=O)O)c1O)/C)/C)C
Systematic name  (3)：
  • 5-クロロ-2,4-ジヒドロキシ-6-メチル-3-[(2E,6E)-3,7,11-トリメチル-2,6,10-ドデカトリエニル]安息香酸
  • 3-クロロ-4,6-ジヒドロキシ-2-メチル-5-[(2E,6E)-3,7,11-トリメチルドデカ-2,6,10-トリエン-1-イル]安息香酸
  • 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzoic acid
Other name (3)：
  • 5-Chloro-2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]benzoic acid
  • イリシコリン酸A
  • Ilicicolinic acid A
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