Chem
J-GLOBAL ID：200907001906555197   Nikkaji number：J663.260B

(R)-4-[(R)-3-(β-D-Glucopyranosyloxy)-1-butenyl]-4α-hydroxy-3,5,5-trimethylcyclohexa-2-en-1-one

(R)-4-[(R)-3-(β-D-グルコピラノシルオキシ)-1-ブテニル]-4α-ヒドロキシ-3,5,5-トリメチルシクロヘキサ-2-エン-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： C19H30O8
Molecular formula furigana： C19-H30-O8
Molecular weight： 386.441
InChI： InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/t11-,13-,14-,15+,16-,17-,19+/m1/s1
InChI key： SWYRVCGNMNAFEK-ZCKLOADGSA-N
SMILES： C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C[C@]1(O)C(=CC(=O)CC1(C)C)C
Systematic name  (3)：
  • (R)-4-[(R)-3-(β-D-グルコピラノシルオキシ)-1-ブテニル]-4α-ヒドロキシ-3,5,5-トリメチルシクロヘキサ-2-エン-1-オン
  • (4R)-4-ヒドロキシ-3,5,5-トリメチル-4-[(3R)-3-{[(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}ブタ-1-エン-1-イル]シクロヘキサ-2-エン-1-オン
  • (4R)-4-hydroxy-3,5,5-trimethyl-4-[(3R)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one
Other name (1)：
  • (R)-4-[(R)-3-(β-D-Glucopyranosyloxy)-1-butenyl]-4α-hydroxy-3,5,5-trimethylcyclohexa-2-en-1-one
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