Chem
J-GLOBAL ID：200907073893326666   Nikkaji number：J14.327H

Plicatic acid

プリカト酸
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： C20H22O10
Molecular formula furigana： C20-H22-O10
Molecular weight： 422.386
InChI： InChI=1S/C20H22O10/c1-29-14-5-10-7-19(27,8-21)20(28,18(25)26)16(11(10)6-12(14)22)9-3-13(23)17(24)15(4-9)30-2/h3-6,16,21-24,27-28H,7-8H2,1-2H3,(H,25,26)/t16-,19+,20+/m0/s1
InChI key： PGFBYAIGHPJFFJ-PWIZWCRZSA-N
SMILES： COc1cc2C[C@@](O)(CO)[C@@](O)([C@@H](c3cc(O)c(O)c(OC)c3)c2cc1O)C(=O)O
Systematic name  (3)：
  • (1S)-1α-(3,4-ジヒドロキシ-5-メトキシフェニル)-1,2,3,4-テトラヒドロ-2α,3β,7-トリヒドロキシ-3-ヒドロキシメチル-6-メトキシ-2-ナフタレンカルボン酸
  • (1S,2S,3R)-1-(3,4-ジヒドロキシ-5-メトキシフェニル)-2,3,7-トリヒドロキシ-3-(ヒドロキシメチル)-6-メトキシ-1,2,3,4-テトラヒドロナフタレン-2-カルボン酸
  • (1S,2S,3R)-1-(3,4-dihydroxy-5-methoxyphenyl)-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Other name (3)：
  • プリカト酸
  • Plicatic acid
  • (1S)-1α-(3,4-Dihydroxy-5-methoxyphenyl)-1,2,3,4-tetrahydro-2α,3β,7-trihydroxy-3-hydroxymethyl-6-methoxy-2-naphthalenecarboxylic acid
CAS registry number： 16462-65-0
KEGG COMPOUND： C10873
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM