Chem
J-GLOBAL ID：200907027532915959   Nikkaji number：J2.099.106B

Junipercomnoside E

ジュニペルコムノシドE
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： C21H30O12
Molecular formula furigana： C21-H30-O12
Molecular weight： 474.459
InChI： InChI=1S/C21H30O12/c1-29-12-7-10(4-5-11(12)23)3-2-6-30-20-19(28)17(26)16(25)14(33-20)9-31-21-18(27)15(24)13(8-22)32-21/h2-5,7,13-28H,6,8-9H2,1H3/b3-2+/t13-,14+,15-,16+,17-,18+,19+,20+,21+/m0/s1
InChI key： XCNSBZWBRNSQTG-GCFFGYCKSA-N
SMILES： COc1cc(/C=C/CO[C@@H]2O[C@H](CO[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Systematic name  (3)：
  • 3-メトキシ-4-ヒドロキシシンナミル6-O-(α-L-アラビノフラノシル)-β-D-グルコピラノシド
  • (2R,3S,4S,5R,6R)-2-({[(2R,3R,4R,5S)-3,4-ジヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]オキシ}メチル)-6-{[(2E)-3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エン-1-イル]オキシ}オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6R)-2-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]oxy}oxane-3,4,5-triol
Other name (3)：
  • 3-Methoxy-4-hydroxycinnamyl 6-O-(α-L-arabinofuranosyl)-β-D-glucopyranoside
  • Junipercomnoside E
  • ジュニペルコムノシドE
Thsaurus map：
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