Chem
J-GLOBAL ID：201807002102832763   Nikkaji number：J3.721.852I

Makluoside B

マクルオシド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： C44H52O23
Molecular formula furigana： C44-H52-O23
Molecular weight： 948.877
InChI： InChI=1S/C44H52O23/c1-16-5-18-3-4-19(30(49)27(18)23(7-16)64-39-35(54)33(52)31(50)25(66-39)10-60-41-37(56)43(58,12-45)14-62-41)20-9-22(47)28-21(29(20)48)6-17(2)8-24(28)65-40-36(55)34(53)32(51)26(67-40)11-61-42-38(57)44(59,13-46)15-63-42/h3-9,25-26,31-42,45-46,49-59H,10-15H2,1-2H3/t25-,26-,31-,32-,33+,34+,35-,36-,37+,38+,39-,40-,41-,42-,43-,44-/m1/s1
InChI key： LYHZFKPQJJJCJB-UCPMRTMYSA-N
SMILES： Cc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)C=C(C(=O)c2c1)c1ccc2cc(C)cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c2c1O
Systematic name  (3)：
  • 1-ヒドロキシ-2,3′-ビ(6-メチル-8-[6-O-(3-(ヒドロキシメチル)-1-デオキシ-4-デ(ヒドロキシメチル)-β-D-リボフラノース-1-イル)-β-D-グルコピラノシルオキシ]ナフタレン)-1′,4′-ジオン
  • 5,8'-ビス({[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}メチル)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ})-1'-ヒドロキシ-6',7-ジメチル-1,4-ジヒドロ-[2,2'-ビナフタレン]-1,4-ジオン
  • 5,8'-bis({[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy})-1'-hydroxy-6',7-dimethyl-1,4-dihydro-[2,2'-binaphthalene]-1,4-dione
Other name (3)：
  • 1-Hydroxy-2,3′-bi(6-methyl-8-[6-O-(3-(hydroxymethyl)-1-deoxy-4-de(hydroxymethyl)-β-D-ribofuranose-1-yl)-β-D-glucopyranosyloxy]naphthalene)-1′,4′-dione
  • マクルオシドB
  • Makluoside B
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