Chem
J-GLOBAL ID：200907090270272400   Nikkaji number：J1.055.726G

(1S)-1α-(β-D-Glucopyranosyloxy)-7-(4-hydroxybenzoyloxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

(1S)-1α-(β-D-グルコピラノシルオキシ)-7-(4-ヒドロキシベンゾイルオキシメチル)-1,4aα,5,7aα-テトラヒドロシクロペンタ[c]ピラン-4-カルボン酸
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： C23H26O12
Molecular formula furigana： C23-H26-O12
Molecular weight： 494.449
InChI： InChI=1S/C23H26O12/c24-7-15-17(26)18(27)19(28)23(34-15)35-22-16-11(3-6-13(16)14(9-33-22)20(29)30)8-32-21(31)10-1-4-12(25)5-2-10/h1-5,9,13,15-19,22-28H,6-8H2,(H,29,30)/t13-,15-,16-,17-,18+,19-,22+,23+/m1/s1
InChI key： HWAWZPNZYKXLJQ-CNYVZCMCSA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3CC=C(COC(=O)c4ccc(O)cc4)[C@@H]23)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • (1S)-1α-(β-D-グルコピラノシルオキシ)-7-(4-ヒドロキシベンゾイルオキシメチル)-1,4aα,5,7aα-テトラヒドロシクロペンタ[c]ピラン-4-カルボン酸
  • (1S)-1α-(β-D-グルコピラノシルオキシ)-7-[[(4-ヒドロキシベンゾイル)オキシ]メチル]-1,4aα,5,7aα-テトラヒドロシクロペンタ[c]ピラン-4-カルボン酸
  • (1S,4aS,7aS)-7-[(4-ヒドロキシベンゾイルオキシ)メチル]-1-{[(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,4aH,5H,7aH-シクロペンタ[c]ピラン-4-カルボン酸
  • (1S,4aS,7aS)-7-[(4-hydroxybenzoyloxy)methyl]-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid
Other name (2)：
  • (1S)-1α-(β-D-Glucopyranosyloxy)-7-(4-hydroxybenzoyloxymethyl)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
  • (1S)-1α-(β-D-Glucopyranosyloxy)-7-[[(4-hydroxybenzoyl)oxy]methyl]-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
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