Chem
J-GLOBAL ID:200907025066804693   Nikkaji number:J2.528.837H

(1R,4aR,7aR)-7-(Benzoyloxymethyl)-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

(1R,4aR,7aR)-7-(ベンゾイルオキシメチル)-1-(β-D-グルコピラノシルオキシ)-1,4a,5,7a-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: C23H26O11
Molecular formula furigana: C23-H26-O11
Molecular weight: 478.450
InChI: InChI=1S/C23H26O11/c24-8-15-17(25)18(26)19(27)23(33-15)34-22-16-12(6-7-13(16)14(10-32-22)20(28)29)9-31-21(30)11-4-2-1-3-5-11/h1-6,10,13,15-19,22-27H,7-9H2,(H,28,29)/t13-,15+,16-,17+,18-,19+,22+,23-/m0/s1
InChI key: FKOATBHWTWCSFJ-WUQHJKKCSA-N
SMILES: OC[C@H]1O[C@@H](O[C@H]2OC=C([C@@H]3CC=C(COC(=O)c4ccccc4)[C@H]23)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • (1R,4aR,7aR)-7-(ベンゾイルオキシメチル)-1-(β-D-グルコピラノシルオキシ)-1,4a,5,7a-テトラヒドロシクロペンタ[c]ピラン-4-カルボン酸
  • (1R,4aR,7aR)-7-[(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
  • (1R,4aR,7aR)-7-[(benzoyloxy)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 (1):
  • (1R,4aR,7aR)-7-(Benzoyloxymethyl)-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
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