Chem
J-GLOBAL ID：200907031556003214   Nikkaji number：J958.745D

Maysin

マイシン
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： C27H28O13
Molecular formula furigana： C27-H28-O13
Molecular weight： 560.508
InChI： InChI=1S/C27H28O13/c1-8-20(32)23(35)19(27-25(37)24(36)21(33)9(2)39-27)26(38-8)18-14(31)7-16-17(22(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19,21,23-29,31,33-37H,1-2H3/t8?,9-,19?,21-,23?,24+,25+,26?,27-/m0/s1
InChI key： NPBMCXSXWMJSTH-ZKWIBABKSA-N
SMILES： C[C@@H]1O[C@H]([C@H](O)[C@H](O)[C@H]1O)C1C(O)C(=O)C(C)OC1c1c(O)cc2oc(cc(=O)c2c1O)c1ccc(O)c(O)c1
Systematic name  (3)：
  • 3-(6-デオキシ-α-L-マンノピラノシル)-2-[2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-4-オキソ-4H-1-ベンゾピラン-6-イル]-4-ヒドロキシ-6-メチル-3,4-ジヒドロ-2H-ピラン-5(6H)-オン
  • (2S,3R,4R,5R,6S)-2'-[2-(3,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-4-オキソ-4H-クロメン-6-イル]-3,4,4',5-テトラヒドロキシ-6,6'-ジメチル-[2,3'-ビオキサン]-5'-オン
  • (2S,3R,4R,5R,6S)-2'-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-3,4,4',5-tetrahydroxy-6,6'-dimethyl-[2,3'-bioxan]-5'-one
Other name (3)：
  • 3-(6-Deoxy-α-L-mannopyranosyl)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-4-hydroxy-6-methyl-3,4-dihydro-2H-pyran-5(6H)-one
  • マイシン
  • Maysin
CAS registry number： 70255-49-1
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