Chem
J-GLOBAL ID：200907038451672433   Nikkaji number：J451.712A

(1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-5α-(4-hydroxybenzoyloxy)-7-hydroxymethylcyclopenta[c]pyran-7α-ol

(1S)-1α-(β-D-グルコピラノシルオキシ)-1,4aα,5,6,7,7aα-ヘキサヒドロ-5α-(4-ヒドロキシベンゾイルオキシ)-7-ヒドロキシメチルシクロペンタ[c]ピラン-7α-オール
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： C22H28O12
Molecular formula furigana： C22-H28-O12
Molecular weight： 484.454
InChI： InChI=1S/C22H28O12/c23-8-14-16(26)17(27)18(28)21(33-14)34-20-15-12(5-6-31-20)13(7-22(15,30)9-24)32-19(29)10-1-3-11(25)4-2-10/h1-6,12-18,20-21,23-28,30H,7-9H2/t12-,13+,14+,15+,16+,17-,18+,20-,21-,22+/m0/s1
InChI key： OTIAAGNDDJEMIJ-UKLNBOJVSA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@@H](C[C@@](O)(CO)[C@@H]23)OC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (1S)-1α-(β-D-グルコピラノシルオキシ)-1,4aα,5,6,7,7aα-ヘキサヒドロ-5α-(4-ヒドロキシベンゾイルオキシ)-7-ヒドロキシメチルシクロペンタ[c]ピラン-7α-オール
  • (1S,4aR,5R,7S,7aS)-7-ヒドロキシ-7-(ヒドロキシメチル)-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,6H,7H,7aH-シクロペンタ[c]ピラン-5-イル 4-ヒドロキシベンゾアート
  • (1S,4aR,5R,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 4-hydroxybenzoate
Other name (1)：
  • (1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-5α-(4-hydroxybenzoyloxy)-7-hydroxymethylcyclopenta[c]pyran-7α-ol
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