Chem
J-GLOBAL ID：200907040932887934   Nikkaji number：J2.359.465J

4-(2-Hydroxyethyl)phenyl 2-O-[5-O-(3-methylbutyryl)-D-apio-β-D-furanosyl]-β-D-glucopyranoside

ククルビトシドG
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： C24H36O12
Molecular formula furigana： C24-H36-O12
Molecular weight： 516.539
InChI： InChI=1S/C24H36O12/c1-13(2)9-17(27)32-11-24(31)12-33-23(21(24)30)36-20-19(29)18(28)16(10-26)35-22(20)34-15-5-3-14(4-6-15)7-8-25/h3-6,13,16,18-23,25-26,28-31H,7-12H2,1-2H3/t16-,18-,19+,20-,21+,22-,23+,24-/m1/s1
InChI key： HOJXXVSYVRHMPL-PSFSSBABSA-N
SMILES： CC(C)CC(=O)OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(CCO)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O
Systematic name  (3)：
  • 4-(2-ヒドロキシエチル)フェニル2-O-[5-O-(3-メチルブチリル)-D-アピオ-β-D-フラノシル]-β-D-グルコピラノシド
  • [(3S,4R,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-2-[4-(2-ヒドロキシエチル)フェノキシ]-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-3,4-ジヒドロキシオキソラン-3-イル]メチル 3-メチルブタノアート
  • [(3S,4R,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl 3-methylbutanoate
Other name (2)：
  • 4-(2-Hydroxyethyl)phenyl 2-O-[5-O-(3-methylbutyryl)-D-apio-β-D-furanosyl]-β-D-glucopyranoside
  • ククルビトシドG
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM