Chem
J-GLOBAL ID：200907061535726115   Nikkaji number：J624.091G

Ehrenoside

エーレノシド
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： C34H44O19
Molecular formula furigana： C34-H44-O19
Molecular weight： 756.707
InChI： InChI=1S/C34H44O19/c1-14-24(42)26(44)28(46)33(49-14)52-30-29(51-23(41)7-4-15-2-5-17(36)19(38)10-15)22(12-35)50-34(47-9-8-16-3-6-18(37)20(39)11-16)31(30)53-32-27(45)25(43)21(40)13-48-32/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+/t14-,21-,22+,24-,25-,26+,27+,28+,29+,30-,31+,32-,33-,34+/m0/s1
InChI key： HZUURLOSYMEMET-DAVUXQIISA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](CO)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3,4-ジヒドロキシフェネチル2-O-α-L-アラビノピラノシル-3-O-α-L-ラムノピラノシル-4-O-(3,4-ジヒドロキシ-trans-シンナモイル)-β-D-グルコピラノシド
  • (2R,3R,4S,5R,6R)-6-[2-(3,4-ジヒドロキシフェニル)エトキシ]-2-(ヒドロキシメチル)-4-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-5-{[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-3-イル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • (2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (3)：
  • エーレノシド
  • Ehrenoside
  • 3,4-Dihydroxyphenethyl 2-O-α-L-arabinopyranosyl-3-O-α-L-rhamnopyranosyl-4-O-(3,4-dihydroxy-trans-cinnamoyl)-β-D-glucopyranoside
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