Chem
J-GLOBAL ID：200907051396458458   Nikkaji number：J1.507.332B

Masutakeside

マスタケシド
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： C30H36O14
Molecular formula furigana： C30-H36-O14
Molecular weight： 620.604
InChI： InChI=1S/C30H36O14/c1-37-21-8-14(7-16-10-19(43-28(16)21)15-4-5-18-20(9-15)42-13-41-18)3-2-6-38-30-27(36)25(34)24(33)22(44-30)12-40-29-26(35)23(32)17(31)11-39-29/h4-5,7-10,17,22-27,29-36H,2-3,6,11-13H2,1H3/t17-,22-,23+,24-,25+,26-,27-,29+,30-/m1/s1
InChI key： JKLGFSBPEZTFTQ-BBYTVRTPSA-N
SMILES： COc1cc(CCCO[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc2cc(oc12)c1ccc2OCOc2c1
Systematic name  (3)：
  • 3-[2-(1,3-ベンゾジオキソール-5-イル)-7-メトキシベンゾフラン-5-イル]プロピル6-O-β-D-キシロピラノシル-β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-{3-[2-(2H-1,3-ベンゾジオキソール-5-イル)-7-メトキシ-1-ベンゾフラン-5-イル]プロポキシ}-6-({[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}メチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy}-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
Other name (5)：
  • 3-[2-(1,3-Benzodioxole-5-yl)-7-methoxybenzofuran-5-yl]propyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
  • マスタケシド
  • Masutakeside
  • マスタケシドI
  • Masutakeside I
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