Chem
J-GLOBAL ID：201307050301089554   Nikkaji number：J3.190.661J

Junsainoside A

ジュンサイノシド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： C31H28O15
Molecular formula furigana： C31-H28-O15
Molecular weight： 640.550
InChI： InChI=1S/C31H28O15/c1-42-20-6-4-14(9-18(20)35)29-30(26(39)24-19(36)10-15(32)11-21(24)44-29)46-31-28(41)27(40)25(38)22(45-31)12-43-23(37)7-3-13-2-5-16(33)17(34)8-13/h2-11,22,25,27-28,31-36,38,40-41H,12H2,1H3/b7-3+/t22-,25-,27+,28-,31+/m1/s1
InChI key： OAVRWAKURBHABX-SMTCTBLTSA-N
SMILES： COc1ccc(cc1O)c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 5,7-ジヒドロキシ-2-(3-ヒドロキシ-4-メトキシフェニル)-3-[6-O-[(E)-3-(3,4-ジヒドロキシフェニル)-1-オキソ-2-プロペニル]-β-D-グルコピラノシルオキシ]-4H-1-ベンゾピラン-4-オン
  • [(2R,3S,4S,5R,6S)-6-{[5,7-ジヒドロキシ-2-(3-ヒドロキシ-4-メトキシフェニル)-4-オキソ-4H-クロメン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メチル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • [(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (3)：
  • 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-[6-O-[(E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyloxy]-4H-1-benzopyran-4-one
  • ジュンサイノシドA
  • Junsainoside A
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