Chem
J-GLOBAL ID：200907071250043575   Nikkaji number：J533.515I

104-2

(3R)-3α,5,8-トリヒドロキシ-9-(2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル)-3,4-ジヒドロ-3-メチルベンゾ[a]アントラセン-1,7,12(2H)-トリオン
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： C25H24O9
Molecular formula furigana： C25-H24-O9
Molecular weight： 468.458
InChI： InChI=1S/C25H24O9/c1-9-21(29)15(27)6-17(34-9)10-3-4-11-20(22(10)30)24(32)12-5-14(26)13-7-25(2,33)8-16(28)18(13)19(12)23(11)31/h3-5,9,15,17,21,26-27,29-30,33H,6-8H2,1-2H3/t9-,15-,17-,21-,25-/m1/s1
InChI key： WOFFYFKONQZKOV-MMELWNKQSA-N
SMILES： C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O)c1ccc2C(=O)c3c(cc(O)c4C[C@@](C)(O)CC(=O)c34)C(=O)c2c1O
Systematic name  (4)：
  • (3R)-9-(2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル)-3,4-ジヒドロ-3α,5,8-トリヒドロキシ-3-メチルベンゾ[a]アントラセン-1,7,12(2H)-トリオン
  • (3R)-3α,5,8-トリヒドロキシ-9-(2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル)-3,4-ジヒドロ-3-メチルベンゾ[a]アントラセン-1,7,12(2H)-トリオン
  • (3R)-9-[(2R,4R,5S,6R)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]-3,5,8-トリヒドロキシ-3-メチル-1,2,3,4,7,12-ヘキサヒドロテトラフェン-1,7,12-トリオン
  • (3R)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,5,8-trihydroxy-3-methyl-1,2,3,4,7,12-hexahydrotetraphene-1,7,12-trione
Other name (3)：
  • (3R)-9-(2,6-Dideoxy-β-D-arabino-hexopyranosyl)-3,4-dihydro-3α,5,8-trihydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione
  • (3R)-3α,5,8-Trihydroxy-9-(2,6-dideoxy-β-D-arabino-hexopyranosyl)-3,4-dihydro-3-methylbenzo[a]anthracene-1,7,12(2H)-trione
  • 104-2
KEGG COMPOUND： C12407
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