Chem
J-GLOBAL ID：200907059986424355   Nikkaji number：J730.014J

1-(Dodecyloxymethyl)-2-(dodecyloxy)ethyl 4-O-(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranoside

1-(ドデシルオキシメチル)-2-(ドデシルオキシ)エチル4-O-(4-O-β-D-グルコピラノシル-β-D-グルコピラノシル)-β-D-グルコピラノシド
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： C45H86O18
Molecular formula furigana： C45-H86-O18
Molecular weight： 915.165
InChI： InChI=1S/C45H86O18/c1-3-5-7-9-11-13-15-17-19-21-23-56-28-30(29-57-24-22-20-18-16-14-12-10-8-6-4-2)58-43-39(54)36(51)41(32(26-47)60-43)63-45-40(55)37(52)42(33(27-48)61-45)62-44-38(53)35(50)34(49)31(25-46)59-44/h30-55H,3-29H2,1-2H3/t31-,32-,33-,34-,35+,36-,37-,38-,39-,40-,41-,42-,43-,44+,45+/m1/s1
InChI key： SWLLDBOIUMBELK-WWDJHZPPSA-N
SMILES： CCCCCCCCCCCCOCC(COCCCCCCCCCCCC)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 1-(ドデシルオキシメチル)-2-(ドデシルオキシ)エチル4-O-(4-O-β-D-グルコピラノシル-β-D-グルコピラノシル)-β-D-グルコピラノシド
  • 1-[(ドデシルオキシ)メチル]-2-(ドデシルオキシ)エチル4-O-(4-O-β-D-グルコピラノシル-β-D-グルコピラノシル)-β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6R)-6-{[1,3-ビス(ドデシルオキシ)プロパン-2-イル]オキシ}-4,5-ジヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-4,5-ジヒドロキシ-2-(ヒドロキシメチル)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,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6R)-6-{[1,3-bis(dodecyloxy)propan-2-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (2)：
  • 1-(Dodecyloxymethyl)-2-(dodecyloxy)ethyl 4-O-(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranoside
  • 1-[(Dodecyloxy)methyl]-2-(dodecyloxy)ethyl 4-O-(4-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranoside
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