Chem
J-GLOBAL ID：200907013072670765   Nikkaji number：J1.268.856C

(S)-1-[(β-D-Glucopyranosyloxy)methyl]-5,5-dimethyl-6-hydroxy-6β-[(S)-3-hydroxy-1-butenyl]-1-cyclohexene-3-one

(S)-1-[(β-D-グルコピラノシルオキシ)メチル]-5,5-ジメチル-6-ヒドロキシ-6β-[(S)-3-ヒドロキシ-1-ブテニル]-1-シクロヘキセン-3-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(21)4-5-19(26)11(6-12(22)7-18(19,2)3)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,10,13-17,20-21,23-26H,7-9H2,1-3H3/t10-,13+,14+,15-,16+,17+,19+/m0/s1
InChI key： UBPXJBQKHFQSGI-SGRKQYAJSA-N
SMILES： C[C@H](O)C=C[C@@]1(O)C(=CC(=O)CC1(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (S)-1-[(β-D-グルコピラノシルオキシ)メチル]-5,5-ジメチル-6-ヒドロキシ-6β-[(S)-3-ヒドロキシ-1-ブテニル]-1-シクロヘキセン-3-オン
  • (4S)-4-ヒドロキシ-4-[(3S)-3-ヒドロキシブタ-1-エン-1-イル]-5,5-ジメチル-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}メチル)シクロヘキサ-2-エン-1-オン
  • (4S)-4-hydroxy-4-[(3S)-3-hydroxybut-1-en-1-yl]-5,5-dimethyl-3-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one
Other name (1)：
  • (S)-1-[(β-D-Glucopyranosyloxy)methyl]-5,5-dimethyl-6-hydroxy-6β-[(S)-3-hydroxy-1-butenyl]-1-cyclohexene-3-one
Thsaurus map：
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