Chem
J-GLOBAL ID：200907009042104849   Nikkaji number：J1.816.063C

Kwanzoquinone D

クワンゾキノン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： C24H22O13
Molecular formula furigana： C24-H22-O13
Molecular weight： 518.427
InChI： InChI=1S/C24H22O13/c1-8-5-10-16(19(31)15-9(17(10)29)3-2-4-11(15)25)20(32)23(8)37-24-22(34)21(33)18(30)12(36-24)7-35-14(28)6-13(26)27/h2-5,12,18,21-22,24-25,30,32-34H,6-7H2,1H3,(H,26,27)/t12-,18-,21+,22-,24+/m1/s1
InChI key： BWQJNUIZXDNIAY-XDMDMBRJSA-N
SMILES： Cc1cc2C(=O)c3cccc(O)c3C(=O)c2c(O)c1O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 1,8-ジヒドロキシ-2-[6-O-(カルボキシアセチル)-β-D-グルコピラノシルオキシ]-3-メチルアントラセン-9,10-ジオン
  • 3-{[(2R,3S,4S,5R,6S)-6-[(1,8-ジヒドロキシ-3-メチル-9,10-ジオキソ-9,10-ジヒドロアントラセン-2-イル)オキシ]-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-3-オキソプロパン酸
  • 3-{[(2R,3S,4S,5R,6S)-6-[(1,8-dihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid
Other name (3)：
  • 1,8-Dihydroxy-2-[6-O-(carboxyacetyl)-β-D-glucopyranosyloxy]-3-methylanthracene-9,10-dione
  • クワンゾキノンD
  • Kwanzoquinone D
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