Chem
J-GLOBAL ID：200907045658542587   Nikkaji number：J17.410F

Dalpanin

ダルパニン
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： C26H30O12
Molecular formula furigana： C26-H30-O12
Molecular weight： 534.514
InChI： InChI=1S/C26H30O12/c1-26(2,35)17-4-9-3-10(12(28)6-15(9)37-17)11-8-36-24-18(20(11)31)13(29)5-14(30)19(24)25-23(34)22(33)21(32)16(7-27)38-25/h3,5-6,11,16-17,21-23,25,27-30,32-35H,4,7-8H2,1-2H3/t11?,16-,17?,21-,22+,23-,25+/m1/s1
InChI key： FBAPMDCZDDOJRF-VEWMLLAHSA-N
SMILES： CC(C)(O)C1Cc2cc(C3COc4c([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(O)cc(O)c4C3=O)c(O)cc2O1
Systematic name  (3)：
  • 3-[2,3-ジヒドロ-6-ヒドロキシ-2-(1-ヒドロキシ-1-メチルエチル)ベンゾフラン-5-イル]-8-(β-D-グルコピラノシル)-2,3-ジヒドロ-5,7-ジヒドロキシ-4H-1-ベンゾピラン-4-オン
  • 5,7-ジヒドロキシ-3-[6-ヒドロキシ-2-(2-ヒドロキシプロパン-2-イル)-2,3-ジヒドロ-1-ベンゾフラン-5-イル]-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]-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • 5,7-dihydroxy-3-[6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-one
Other name (3)：
  • ダルパニン
  • Dalpanin
  • 3-[2,3-Dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)benzofuran-5-yl]-8-(β-D-glucopyranosyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS registry number： 37376-13-9
KEGG COMPOUND： C10416
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