Chem
J-GLOBAL ID：200907006823525859   Nikkaji number：J1.959.838A

Adinoside B

アジノシドB
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： C21H32O11
Molecular formula furigana： C21-H32-O11
Molecular weight： 460.476
InChI： InChI=1S/C21H32O11/c1-4-11-12(7-15-28-6-5-10(2)30-15)13(19(26)27-3)9-29-20(11)32-21-18(25)17(24)16(23)14(8-22)31-21/h4,9-12,14-18,20-25H,1,5-8H2,2-3H3/t10-,11+,12-,14+,15+,16+,17-,18+,20-,21-/m0/s1
InChI key： SVJKQLMNDPSOQK-KEEKJGOVSA-N
SMILES： COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C[C@@H]1OCC[C@H](C)O1
Systematic name  (3)：
  • (2S)-2β-(β-D-グルコピラノシルオキシ)-3α-ビニル-4α-[[(2R)-6α-メチル-1,3-ジオキサン]-2α-イルメチル]-3,4-ジヒドロ-2H-ピラン-5-カルボン酸メチル
  • メチル (2S,3R,4S)-3-エテニル-4-{[(2R,4S)-4-メチル-1,3-ジオキサン-2-イル]メチル}-2-{[(2S,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}-3,4-ジヒドロ-2H-ピラン-5-カルボキシラート
  • methyl (2S,3R,4S)-3-ethenyl-4-{[(2R,4S)-4-methyl-1,3-dioxan-2-yl]methyl}-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
Other name (3)：
  • (2S)-2β-(β-D-Glucopyranosyloxy)-3α-vinyl-4α-[[(2R)-6α-methyl-1,3-dioxane]-2α-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester
  • Adinoside B
  • アジノシドB
CAS registry number： 613261-49-7
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