Chem
J-GLOBAL ID：200907096853714574   Nikkaji number：J1.000.359H

Cimicifugic acid

シミシフギン酸
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： C21H20O11
Molecular formula furigana： C21-H20-O11
Molecular weight： 448.380
InChI： InChI=1S/C21H20O11/c1-31-16-9-11(2-6-14(16)23)4-7-17(25)32-18(19(26)27)21(30,20(28)29)10-12-3-5-13(22)15(24)8-12/h2-9,18,22-24,30H,10H2,1H3,(H,26,27)(H,28,29)/t18-,21-/m0/s1
InChI key： LIJMMUDJSMCVDJ-RXVVDRJESA-N
SMILES： COc1cc(C=CC(=O)O[C@@H](C(=O)O)[C@@](O)(Cc2ccc(O)c(O)c2)C(=O)O)ccc1O
Systematic name  (3)：
  • (2S,3R)-2-[(3,4-ジヒドロキシフェニル)メチル]-3-[[3-(4-ヒドロキシ-3-メトキシフェニル)-1-オキソ-2-プロペニル]オキシ]-2-ヒドロキシブタン二酸
  • (2S,3R)-2-[(3,4-ジヒドロキシフェニル)メチル]-2-ヒドロキシ-3-{[3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノイル]オキシ}ブタン二酸
  • (2S,3R)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioic acid
Other name (3)：
  • (2S,3R)-2-[(3,4-Dihydroxyphenyl)methyl]-3-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-2-hydroxybutanedioic acid
  • シミシフギン酸
  • Cimicifugic acid
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM