Chem
J-GLOBAL ID：200907009701990100   Nikkaji number：J1.287.432D

Robutaside D

ロブスタシドD
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： C21H22O10
Molecular formula furigana： C21-H22-O10
Molecular weight： 434.397
InChI： InChI=1S/C21H22O10/c22-12-1-3-14(4-2-12)30-20-19(27)18(26)17(25)15(31-20)11-29-16(24)7-10-21(28)8-5-13(23)6-9-21/h1-10,15,17-20,22,25-28H,11H2/t15-,17-,18+,19-,20-/m1/s1
InChI key： KQIQKULTIAJZKL-XIKSMUEASA-N
SMILES： O[C@@H]1[C@@H](COC(=O)C=CC2(O)C=CC(=O)C=C2)O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 4-[[6-O-[1-オキソ-3-(1-ヒドロキシ-4-オキソ-2,5-シクロヘキサジエニル)-2-プロペニル]-β-D-グルコピラノシル]オキシ]フェノール
  • [(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-(4-ヒドロキシフェノキシ)オキサン-2-イル]メチル 3-(1-ヒドロキシ-4-オキソシクロヘキサ-2,5-ジエン-1-イル)プロパ-2-エノアート
  • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl 3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoate
Other name (3)：
  • 4-[[6-O-[1-Oxo-3-(1-hydroxy-4-oxo-2,5-cyclohexadienyl)-2-propenyl]-β-D-glucopyranosyl]oxy]phenol
  • ロブスタシドD
  • Robutaside D
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