Chem
J-GLOBAL ID:200907073121103599
Nikkaji number:J17.941H Aloesin アロエシン
Download MOL file 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: C19 H22 O9 Molecular formula furigana:
C19-H22-O9
Molecular weight:
394.376
InChI:
InChI=1S/C19H22O9/c1-7-3-10(22)14(19-17(26)16(25)15(24)12(6-20)28-19)18-13(7)11(23)5-9(27-18)4-8(2)21/h3,5,12,15-17,19-20,22,24-26H,4,6H2,1-2H3/t12-,15-,16+,17-,19+/m1/s1
InChI key:
HKIKAXXIWJHWLY-ZIIYPAMZSA-N
SMILES:
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1
Systematic name (5): 8-(β-D-グルコピラノシル)-2-(2-オキソプロピル)-7-ヒドロキシ-5-メチル-4H-1-ベンゾピラン-4-オン 8-β-D-グルコピラノシル-7-ヒドロキシ-5-メチル-2-(2-オキソプロピル)-4H-1-ベンゾピラン-4-オン 2-(2-オキソプロピル)-5-メチル-7-ヒドロキシ-8-(β-D-グルコピラノシル)-4H-1-ベンゾピラン-4-オン 7-ヒドロキシ-5-メチル-2-(2-オキソプロピル)-8-[(2S,3R,4R,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]-4H-クロメン-4-オン 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one Other name (8): アロエシン Aloesin 8-β-D-Glucopyranosyl-7-hydroxy-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one アロエレシンB Aloeresin B
アロエレジンB Aloe resin B 2-(2-Oxopropyl)-5-methyl-7-hydroxy-8-(β-D-glucopyranosyl)-4H-1-benzopyran-4-one Show all
CAS registry number:
30861-27-9
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