Chem
J-GLOBAL ID：200907039823021368   Nikkaji number：J1.812.709A

3′-O-β-Glucopyranosyl-stilbericoside

3′-O-β-グルコピラノシルスチルベリコシド
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： C20H30O15
Molecular formula furigana： C20-H30-O15
Molecular weight： 510.445
InChI： InChI=1S/C20H30O15/c21-3-5-8(23)10(25)11(26)18(31-5)34-14-9(24)6(4-22)32-19(12(14)27)35-17-7-13-15(33-13)16(28)20(7,29)1-2-30-17/h1-2,5-19,21-29H,3-4H2/t5-,6-,7+,8-,9-,10+,11-,12-,13-,14+,15-,16-,17+,18+,19+,20+/m1/s1
InChI key： QTNLUBYCQZKKJF-IJCKHTGMSA-N
SMILES： OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3OC=C[C@@]4(O)[C@H](O)[C@@H]5O[C@@H]5[C@@H]34)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (1S)-1α-(3-O-β-D-グルコピラノシル-β-D-グルコピラノシルオキシ)-6α,7α-エポキシ-1,4a,5,6,7,7aα-ヘキサヒドロシクロペンタ[c]ピラン-4aα,5α-ジオール
  • (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(1R,2R,4S,5R,6S,10S)-5,6-ジヒドロキシ-3,9-ジオキサトリシクロ[4.4.0.02,4]デカ-7-エン-10-イル]オキシ}-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-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-{[(2S,3R,4S,5R,6R)-2-{[(1R,2R,4S,5R,6S,10S)-5,6-dihydroxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • (1S)-1α-(3-O-β-D-Glucopyranosyl-β-D-glucopyranosyloxy)-6α,7α-epoxy-1,4a,5,6,7,7aα-hexahydrocyclopenta[c]pyran-4aα,5α-diol
  • 3′-O-β-Glucopyranosyl-stilbericoside
  • 3′-O-β-グルコピラノシルスチルベリコシド
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