Chem
J-GLOBAL ID：200907016009930381   Nikkaji number：J510.900K

Isooleuropein

イソオレウロペイン
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： C25H32O13
Molecular formula furigana： C25-H32-O13
Molecular weight： 540.518
InChI： InChI=1S/C25H32O13/c1-3-13-14(9-19(29)34-2)15(23(33)35-7-6-12-4-5-16(27)17(28)8-12)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14-,18+,20+,21-,22+,24-,25-/m0/s1
InChI key： DFPITMMSRVJLIR-ZCHJGGQASA-N
SMILES： COC(=O)C[C@H]1/C(=C\C)/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OCCc1ccc(O)c(O)c1
Systematic name  (3)：
  • (5E)-5-エチリデン-6α-(β-D-グルコピラノシルオキシ)-4β-[(メトキシカルボニル)メチル]-5,6-ジヒドロ-4H-ピラン-3-カルボン酸[2-(3,4-ジヒドロキシフェニル)エチル]
  • 2-(3,4-ジヒドロキシフェニル)エチル (2S,3E,4S)-3-エチリデン-4-(2-メトキシ-2-オキソエチル)-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,4-ジヒドロ-2H-ピラン-5-カルボキシラート
  • 2-(3,4-dihydroxyphenyl)ethyl (2S,3E,4S)-3-ethylidene-4-(2-methoxy-2-oxoethyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
Other name (3)：
  • イソオレウロペイン
  • Isooleuropein
  • (5E)-5-Ethylidene-6α-(β-D-glucopyranosyloxy)-4β-[(methoxycarbonyl)methyl]-5,6-dihydro-4H-pyran-3-carboxylic acid [2-(3,4-dihydroxyphenyl)ethyl] ester
CAS registry number： 108789-17-9
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