Chem
J-GLOBAL ID：200907095171073171   Nikkaji number：J1.870.822A

Sessilifoside

セッシリフォシド
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： C26H28O13
Molecular formula furigana： C26-H28-O13
Molecular weight： 548.497
InChI： InChI=1S/C26H28O13/c1-3-11-12-6-16(18-9(2)36-15-5-10(28)4-14(29)19(15)21(18)31)37-24(34)13(12)8-35-25(11)39-26-23(33)22(32)20(30)17(7-27)38-26/h3-5,8,11-12,16-17,20,22-23,25-30,32-33H,1,6-7H2,2H3/t11-,12+,16-,17-,20-,22+,23-,25+,26+/m1/s1
InChI key： JWVRLUKQBCGKPV-IDXCABARSA-N
SMILES： Cc1oc2cc(O)cc(O)c2c(=O)c1[C@H]1C[C@H]2[C@@H](C=C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C2C(=O)O1
Systematic name  (3)：
  • 5β-エテニル-3β-(5,7-ジヒドロキシ-2-メチル-4-オキソ-4H-1-ベンゾピラン-3-イル)-4,4aα,5,6-テトラヒドロ-6α-(β-D-グルコピラノシルオキシ)-1H,3H-ピラノ[3,4-c]ピラン-1-オン
  • 3-[(3R,4aS,5R,6S)-5-エテニル-1-オキソ-6-{[(2S,3R,4S,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]オキシ}-1H,3H,4H,4aH,5H,6H-ピラノ[3,4-c]ピラン-3-イル]-5,7-ジヒドロキシ-2-メチル-4H-クロメン-4-オン
  • 3-[(3R,4aS,5R,6S)-5-ethenyl-1-oxo-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl]-5,7-dihydroxy-2-methyl-4H-chromen-4-one
Other name (3)：
  • 5β-Ethenyl-3β-(5,7-dihydroxy-2-methyl-4-oxo-4H-1-benzopyran-3-yl)-4,4aα,5,6-tetrahydro-6α-(β-D-glucopyranosyloxy)-1H,3H-pyrano[3,4-c]pyran-1-one
  • セッシリフォシド
  • Sessilifoside
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