Chem
J-GLOBAL ID：200907026077645593   Nikkaji number：J1.145.974I

Inamoside

イナモシド
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(26-18-17(25)16(24)15(23)14(9-21)27-18)4-5-13-11(8-20)6-12(22)7-19(13,2)3/h4-6,10,13-18,20-21,23-25H,7-9H2,1-3H3/b5-4+/t10-,13+,14-,15-,16+,17-,18-/m1/s1
InChI key： AURHKHAKYLTFJN-YIOPDIOLSA-N
SMILES： C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/[C@H]1C(=CC(=O)CC1(C)C)CO
Systematic name  (4)：
  • (4R)-3-(ヒドロキシメチル)-4-[(1E,3R)-3-(β-D-グルコピラノシルオキシ)-1-ブテニル]-5,5-ジメチル-2-シクロヘキセン-1-オン
  • (4R)-3-(ヒドロキシメチル)-5,5-ジメチル-4α-[(1E,3R)-3-(β-D-グルコピラノシルオキシ)-1-ブテニル]-2-シクロヘキセン-1-オン
  • (4R)-3-(ヒドロキシメチル)-5,5-ジメチル-4-[(1E,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)-3-(hydroxymethyl)-5,5-dimethyl-4-[(1E,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 (4)：
  • (4R)-3-(Hydroxymethyl)-4-[(1E,3R)-3-(β-D-glucopyranosyloxy)-1-butenyl]-5,5-dimethyl-2-cyclohexene-1-one
  • (4R)-3-(Hydroxymethyl)-5,5-dimethyl-4α-[(1E,3R)-3-(β-D-glucopyranosyloxy)-1-butenyl]-2-cyclohexene-1-one
  • イナモシド
  • Inamoside
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