Chem
J-GLOBAL ID：200907003250889347   Nikkaji number：J490.351J

17-[6-O-Acetyl-2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyloxy]octadecanoic acid

17-[6-O-アセチル-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]オクタデカン酸
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： C32H58O14
Molecular formula furigana： C32-H58-O14
Molecular weight： 666.802
InChI： InChI=1S/C32H58O14/c1-20(16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-24(35)36)43-32-30(28(40)26(38)23(45-32)19-42-21(2)34)46-31-29(41)27(39)25(37)22(18-33)44-31/h20,22-23,25-33,37-41H,3-19H2,1-2H3,(H,35,36)/t20?,22-,23-,25-,26-,27+,28+,29-,30-,31+,32-/m1/s1
InChI key： JWVKBAHSJGZBEQ-PDNLIJJDSA-N
SMILES： CC(CCCCCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](COC(=O)C)[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)：
  • 17-[6-O-アセチル-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]オクタデカン酸
  • 17-{[(2R,3R,4S,5S,6R)-6-[(アセチルオキシ)メチル]-4,5-ジヒドロキシ-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}オクタデカン酸
  • 17-{[(2R,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}octadecanoic acid
Other name (1)：
  • 17-[6-O-Acetyl-2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyloxy]octadecanoic acid
Thsaurus map：
Thesaurus Map

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