Chem
J-GLOBAL ID：201007023961055882   Nikkaji number：J2.869.080K

4-[3-(β-D-Glucopyranosyloxy)-1-butene-1-ylidene]-3,5,5-trimethylcyclohexane-1,3-diol

4-[3-(β-D-グルコピラノシルオキシ)-1-ブテン-1-イリデン]-3,5,5-トリメチルシクロヘキサン-1,3-ジオール
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： C19H32O8
Molecular formula furigana： C19-H32-O8
Molecular weight： 388.457
InChI： InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10?,11?,12-,14-,15+,16-,17-,19?/m1/s1
InChI key： IZRMHEYYBIXPBM-KEIBNDTDSA-N
SMILES： CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C=C1C(C)(C)CC(O)CC1(C)O
Systematic name  (3)：
  • 4-[3-(β-D-グルコピラノシルオキシ)-1-ブテン-1-イリデン]-3,5,5-トリメチルシクロヘキサン-1,3-ジオール
  • (2R,3R,4S,5S,6R)-2-{[4-(2,4-ジヒドロキシ-2,6,6-トリメチルシクロヘキシリデン)ブタ-3-エン-2-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[4-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)but-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • 4-[3-(β-D-Glucopyranosyloxy)-1-butene-1-ylidene]-3,5,5-trimethylcyclohexane-1,3-diol
Thsaurus map：
Thesaurus Map

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