Chem
J-GLOBAL ID：200907085473925899   Nikkaji number：J254.225K

Icariside E5

イカリシドE5
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： C26H34O11
Molecular formula furigana： C26-H34-O11
Molecular weight： 522.547
InChI： InChI=1S/C26H34O11/c1-34-19-10-15(5-6-18(19)30)8-16(12-28)17-9-14(4-3-7-27)11-20(35-2)25(17)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-6,9-11,16,21-24,26-33H,7-8,12-13H2,1-2H3/t16?,21-,22-,23+,24-,26+/m1/s1
InChI key： UFFRBCKYXMEITK-APQHXQEOSA-N
SMILES： COc1cc(CC(CO)c2cc(C=CCO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Systematic name  (4)：
  • 3-[4-β-D-グルコピラノシルオキシ-5-メトキシ-3-[2-(4-ヒドロキシ-3-メトキシフェニル)-1-(ヒドロキシメチル)エチル]フェニル]-2-プロペン-1-オール
  • 3-(3-(3-メトキシ-4-ヒドロキシ-α-(ヒドロキシメチル)フェネチル)-4-(β-D-グルコピラノシルオキシ)-5-メトキシフェニル)アリルアルコール
  • (2S,3R,4S,5S,6R)-2-{2-[1-ヒドロキシ-3-(4-ヒドロキシ-3-メトキシフェニル)プロパン-2-イル]-4-(3-ヒドロキシプロパ-1-エン-1-イル)-6-メトキシフェノキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-(3-hydroxyprop-1-en-1-yl)-6-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (6)：
  • Icariside E5
  • イカリシドE5
  • 3-[4-β-D-Glucopyranosyloxy-5-methoxy-3-[2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethyl]phenyl]-2-propen-1-ol
  • 3-(3-(3-Methoxy-4-hydroxy-α-(hydroxymethyl)phenethyl)-4-(β-D-glucopyranosyloxy)-5-methoxyphenyl)allyl alcohol
  • イカリシドE5
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