Chem
J-GLOBAL ID：200907058896387691   Nikkaji number：J652.515F

Apimaysin

アピマイシン
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/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19,22-28,30-31,33-36H,1-2H3/t9-,10-,19-,22+,23-,24+,25-,26+,27-/m0/s1
InChI key： LCQVQAZLYBJMGJ-YWOWJUDASA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)C(=O)[C@H](C)O[C@H]2c2c(O)cc3oc(cc(=O)c3c2O)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-(4-ヒドロキシフェニル)-5,7-ジヒドロキシ-6-(2-O-α-L-ラムノピラノシル-6-デオキシ-α-L-arabino-4-ヘキソスロピラノシル)-4H-1-ベンゾピラン-4-オン
  • 5,7-ジヒドロキシ-6-[(2S,3R,4R,6S)-4-ヒドロキシ-6-メチル-5-オキソ-3-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]-2-(4-ヒドロキシフェニル)-4H-クロメン-4-オン
  • 5,7-dihydroxy-6-[(2S,3R,4R,6S)-4-hydroxy-6-methyl-5-oxo-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]-2-(4-hydroxyphenyl)-4H-chromen-4-one
Other name (3)：
  • アピマイシン
  • Apimaysin
  • 2-(4-Hydroxyphenyl)-5,7-dihydroxy-6-(2-O-α-L-rhamnopyranosyl-6-deoxy-α-L-arabino-4-hexosulopyranosyl)-4H-1-benzopyran-4-one
CAS registry number： 74158-04-6
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