Chem
J-GLOBAL ID：200907018128430195   Nikkaji number：J830.292H

(3S,4E)-3-[(E)-2-Hydroxy-1-(methoxycarbonyl)ethenyl]-4-formyl-4-hexenoic acid 2-(3,4-dihydroxyphenyl)ethyl ester

(3S,4E)-3-[(E)-2-ヒドロキシ-1-(メトキシカルボニル)エテニル]-4-ホルミル-4-ヘキセン酸2-(3,4-ジヒドロキシフェニル)エチル
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： C19H22O8
Molecular formula furigana： C19-H22-O8
Molecular weight： 378.377
InChI： InChI=1S/C19H22O8/c1-3-13(10-20)14(15(11-21)19(25)26-2)9-18(24)27-7-6-12-4-5-16(22)17(23)8-12/h3-5,8,10-11,14,21-23H,6-7,9H2,1-2H3/b13-3-,15-11+/t14-/m0/s1
InChI key： QIIVCNGZTQBIJG-NUPLGTMTSA-N
SMILES： COC(=O)/C(=C/O)/[C@@H](CC(=O)OCCc1ccc(O)c(O)c1)/C(=C\C)/C=O
Systematic name  (3)：
  • (3S,4E)-3-[(E)-2-ヒドロキシ-1-(メトキシカルボニル)エテニル]-4-ホルミル-4-ヘキセン酸2-(3,4-ジヒドロキシフェニル)エチル
  • 5-[2-(3,4-ジヒドロキシフェニル)エチル] 1-メチル (2E,3S)-2-(ヒドロキシメチリデン)-3-[(2E)-1-オキソブタ-2-エン-2-イル]ペンタンジオアート
  • 5-[2-(3,4-dihydroxyphenyl)ethyl] 1-methyl (2E,3S)-2-(hydroxymethylidene)-3-[(2E)-1-oxobut-2-en-2-yl]pentanedioate
Other name (1)：
  • (3S,4E)-3-[(E)-2-Hydroxy-1-(methoxycarbonyl)ethenyl]-4-formyl-4-hexenoic acid 2-(3,4-dihydroxyphenyl)ethyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM