Chem
J-GLOBAL ID：201107000903073690   Nikkaji number：J2.916.862H

(4R,5R)-3,5-Dimethyl-4-hydroxy-4-(3-hydroxy-1-butenyl)-5-(β-D-glucopyranosyloxymethyl)-2-cyclohexene-1-one

(4R,5R)-3,5-ジメチル-4-ヒドロキシ-4-(3-ヒドロキシ-1-ブテニル)-5-(β-D-グルコピラノシルオキシメチル)-2-シクロヘキセン-1-オン
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： C19H30O9
Molecular formula furigana： C19-H30-O9
Molecular weight： 402.440
InChI： InChI=1S/C19H30O9/c1-10-6-12(22)7-18(3,19(10,26)5-4-11(2)21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,11,13-17,20-21,23-26H,7-9H2,1-3H3/t11?,13-,14-,15+,16-,17-,18-,19-/m1/s1
InChI key： UUUMPMJOJKTIFJ-XFVZIPGYSA-N
SMILES： CC(O)C=C[C@@]1(O)C(=CC(=O)C[C@]1(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C
Systematic name  (3)：
  • (4R,5R)-3,5-ジメチル-4-ヒドロキシ-4-(3-ヒドロキシ-1-ブテニル)-5-(β-D-グルコピラノシルオキシメチル)-2-シクロヘキセン-1-オン
  • (4R,5R)-4-ヒドロキシ-4-(3-ヒドロキシブタ-1-エン-1-イル)-3,5-ジメチル-5-({[(2R,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}メチル)シクロヘキサ-2-エン-1-オン
  • (4R,5R)-4-hydroxy-4-(3-hydroxybut-1-en-1-yl)-3,5-dimethyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
Other name (1)：
  • (4R,5R)-3,5-Dimethyl-4-hydroxy-4-(3-hydroxy-1-butenyl)-5-(β-D-glucopyranosyloxymethyl)-2-cyclohexene-1-one
Thsaurus map：
Thesaurus Map

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