Chem
J-GLOBAL ID：200907002846949871   Nikkaji number：J2.451.535D

1-O-Dodecanoyl-2-O-[6-O-[(Z)-1-oxo-5-dodecenyl]-α-D-glucopyranosyl]-β-D-fructofuranose

1-O-ドデカノイル-2-O-[6-O-[(Z)-1-オキソ-5-ドデセニル]-α-D-グルコピラノシル]-β-D-フルクトフラノース
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： C36H64O13
Molecular formula furigana： C36-H64-O13
Molecular weight： 704.895
InChI： InChI=1S/C36H64O13/c1-3-5-7-9-11-13-15-17-19-21-28(38)45-24-27-30(40)32(42)33(43)35(47-27)49-36(34(44)31(41)26(23-37)48-36)25-46-29(39)22-20-18-16-14-12-10-8-6-4-2/h13,15,26-27,30-35,37,40-44H,3-12,14,16-25H2,1-2H3/b15-13-/t26-,27-,30-,31-,32+,33-,34+,35-,36+/m1/s1
InChI key： YEENBFQCEORRPP-NHGAABELSA-N
SMILES： CCCCCCCCCCCC(=O)OC[C@@]1(O[C@H]2O[C@H](COC(=O)CCC/C=C\CCCCCC)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 1-O-ドデカノイル-2-O-[6-O-[(Z)-1-オキソ-5-ドデセニル]-α-D-グルコピラノシル]-β-D-フルクトフラノース
  • [(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-2-[(ドデカノイルオキシ)メチル]-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}-3,4,5-トリヒドロキシオキサン-2-イル]メチル (5Z)-ドデカ-5-エノアート
  • [(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-2-[(dodecanoyloxy)methyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (5Z)-dodec-5-enoate
Other name (1)：
  • 1-O-Dodecanoyl-2-O-[6-O-[(Z)-1-oxo-5-dodecenyl]-α-D-glucopyranosyl]-β-D-fructofuranose
Thsaurus map：
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