Chem
J-GLOBAL ID：200907092046970685   Nikkaji number：J533.516G

124-1

(3R)-3α,5,8-トリヒドロキシ-9-[3-O-[4-O-(2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル)-2,3,6-トリデオキシ-α-L-threo-ヘキソピラノシル]-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： C37H44O14
Molecular formula furigana： C37-H44-O14
Molecular weight： 712.745
InChI： InChI=1S/C37H44O14/c1-14-24(50-28-10-22(39)32(41)15(2)49-28)7-8-27(48-14)51-26-11-25(47-16(3)33(26)42)17-5-6-18-31(34(17)43)36(45)19-9-21(38)20-12-37(4,46)13-23(40)29(20)30(19)35(18)44/h5-6,9,14-16,22,24-28,32-33,38-39,41-43,46H,7-8,10-13H2,1-4H3/t14-,15+,16+,22+,24-,25+,26+,27-,28-,32+,33+,37+/m0/s1
InChI key： LQZSLYLITYAWSH-PYRLTDJXSA-N
SMILES： C[C@@H]1O[C@H](CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1)O[C@@H]1C[C@@H](O[C@H](C)[C@H]1O)c1ccc2C(=O)c3c(cc(O)c4C[C@@](C)(O)CC(=O)c34)C(=O)c2c1O
Systematic name  (4)：
  • (3R)-9-[3-O-[[(2S)-5α-[(2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル)オキシ]テトラヒドロ-6α-メチル-2H-ピラン]-2β-イル]-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-[3-O-[4-O-(2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル)-2,3,6-トリデオキシ-α-L-threo-ヘキソピラノシル]-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,5R,6R)-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6-メチルオキサン-2-イル]オキシ}-5-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,5R,6R)-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5-hydroxy-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-[3-O-[[(2S)-5α-[(2,6-Dideoxy-β-D-arabino-hexopyranosyl)oxy]tetrahydro-6α-methyl-2H-pyran]-2β-yl]-2,6-dideoxy-β-D-arabino-hexopyranosyl]-3,4-dihydro-3α,5,8-trihydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione
  • 124-1
  • (3R)-3α,5,8-Trihydroxy-9-[3-O-[4-O-(2,6-dideoxy-β-D-arabino-hexopyranosyl)-2,3,6-trideoxy-α-L-threo-hexopyranosyl]-2,6-dideoxy-β-D-arabino-hexopyranosyl]-3,4-dihydro-3-methylbenzo[a]anthracene-1,7,12(2H)-trione
KEGG COMPOUND： C12409
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