Chem
J-GLOBAL ID：200907083139866218   Nikkaji number：J1.523.380J

Miconioside B

ミコニオシド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： C29H36O14
Molecular formula furigana： C29-H36-O14
Molecular weight： 608.593
InChI： InChI=1S/C29H36O14/c1-12-20(32)19-16(31)8-17(14-4-6-15(38-3)7-5-14)41-25(19)13(2)24(12)43-27-23(35)22(34)21(33)18(42-27)9-39-28-26(36)29(37,10-30)11-40-28/h4-7,17-18,21-23,26-28,30,32-37H,8-11H2,1-3H3/t17-,18+,21+,22-,23+,26-,27-,28+,29+/m0/s1
InChI key： SBEVOVWWSQLCJK-JOFSYXLSSA-N
SMILES： COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)c(C)c(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)c(C)c2O1
Systematic name  (4)：
  • (S)-2,3-ジヒドロ-5-ヒドロキシ-7-[6-O-(D-アピオ-β-D-フラノシル)-β-D-グルコピラノシルオキシ]-2-(4-メトキシフェニル)-6,8-ジメチル-4H-1-ベンゾピラン-4-オン
  • (2S)-2,3-ジヒドロ-2-(4-メトキシフェニル)-5-ヒドロキシ-6,8-ジメチル-7-[(6-O-D-アピオ-β-D-フラノシル-β-D-グルコピラノシル)オキシ]-4H-1-ベンゾピラン-4-オン
  • (2S)-7-{[(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}-5-ヒドロキシ-2-(4-メトキシフェニル)-6,8-ジメチル-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • (2S)-7-{[(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}-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
Other name (4)：
  • (S)-2,3-Dihydro-5-hydroxy-7-[6-O-(D-apio-β-D-furanosyl)-β-D-glucopyranosyloxy]-2-(4-methoxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one
  • (2S)-2,3-Dihydro-2-(4-methoxyphenyl)-5-hydroxy-6,8-dimethyl-7-[(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one
  • ミコニオシドB
  • Miconioside B
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