Chem
J-GLOBAL ID：200907025676915284   Nikkaji number：J490.352H

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

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]オクタデカン酸メチル
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： C33H60O14
Molecular formula furigana： C33-H60-O14
Molecular weight： 680.829
InChI： InChI=1S/C33H60O14/c1-21(17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-25(36)42-3)44-33-31(29(40)27(38)24(46-33)20-43-22(2)35)47-32-30(41)28(39)26(37)23(19-34)45-32/h21,23-24,26-34,37-41H,4-20H2,1-3H3/t21?,23-,24-,26-,27-,28+,29+,30-,31-,32+,33-/m1/s1
InChI key： UYDBEMOAESWPBE-WOABBXNMSA-N
SMILES： COC(=O)CCCCCCCCCCCCCCCC(C)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]オクタデカン酸メチル
  • メチル 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}オクタデカノアート
  • methyl 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}octadecanoate
Other name (1)：
  • 17-[6-O-Acetyl-2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyloxy]octadecanoic acid methyl ester
Thsaurus map：
Thesaurus Map

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