Chem
J-GLOBAL ID：200907053703622107   Nikkaji number：J2.073.089G

13-[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyloxy]docosanoic acid

13-[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]ドコサン酸
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： C34H64O13
Molecular formula furigana： C34-H64-O13
Molecular weight： 680.873
InChI： InChI=1S/C34H64O13/c1-2-3-4-5-9-12-15-18-23(19-16-13-10-7-6-8-11-14-17-20-26(37)38)44-34-32(30(42)28(40)25(22-36)46-34)47-33-31(43)29(41)27(39)24(21-35)45-33/h23-25,27-36,39-43H,2-22H2,1H3,(H,37,38)/t23?,24-,25-,27-,28-,29+,30+,31-,32-,33+,34-/m1/s1
InChI key： OAKLJPBSRRDONB-FCILMWLFSA-N
SMILES： CCCCCCCCCC(CCCCCCCCCCCC(=O)O)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
Systematic name  (3)：
  • 13-[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]ドコサン酸
  • 13-{[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}ドコサン酸
  • 13-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}docosanoic acid
Other name (1)：
  • 13-[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyloxy]docosanoic acid
KEGG COMPOUND： C18191
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