Chem
J-GLOBAL ID：200907050691096626   Nikkaji number：J1.791.627K

1,8-Dihydroxy-3-(hydroxymethyl)-10-(β-D-glucopyranosyl)anthracene-9(10H)-one

1,8-ジヒドロキシ-3-(ヒドロキシメチル)-10-(β-D-グルコピラノシル)アントラセン-9(10H)-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： C21H22O9
Molecular formula furigana： C21-H22-O9
Molecular weight： 418.398
InChI： InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1
InChI key： AFHJQYHRLPMKHU-CGISPIQUSA-N
SMILES： OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12
Systematic name  (3)：
  • 1,8-ジヒドロキシ-3-(ヒドロキシメチル)-10-(β-D-グルコピラノシル)アントラセン-9(10H)-オン
  • 1,8-ジヒドロキシ-3-(ヒドロキシメチル)-10-[(2S,3R,4R,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]-9,10-ジヒドロアントラセン-9-オン
  • 1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one
Other name (1)：
  • 1,8-Dihydroxy-3-(hydroxymethyl)-10-(β-D-glucopyranosyl)anthracene-9(10H)-one
Thsaurus map：
Thesaurus Map

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