Chem
J-GLOBAL ID：200907062663610231   Nikkaji number：J1.662.193E

Ebracteatoside C

エブラクテアトシドC
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： C20H36O12
Molecular formula furigana： C20-H36-O12
Molecular weight： 468.496
InChI： InChI=1S/C20H36O12/c1-2-10(6-4-3-5-7-21)29-20-18(16(27)14(25)12(9-23)31-20)32-19-17(28)15(26)13(24)11(8-22)30-19/h2,10-28H,1,3-9H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19-,20+/m0/s1
InChI key： DPBPIQZVUPQHCO-YSCNKMLASA-N
SMILES： OCCCCC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C
Systematic name  (3)：
  • (R)-3-[2-O-(β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]-1-オクテン-8-オール
  • (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-2-{[(3R)-8-ヒドロキシオクタ-1-エン-3-イル]オキシ}オキサン-3-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-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(3R)-8-hydroxyoct-1-en-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • (R)-3-[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyloxy]-1-octene-8-ol
  • Ebracteatoside C
  • エブラクテアトシドC
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