Chem
J-GLOBAL ID：200907013552539057   Nikkaji number：J1.521.198I

(4aα,6S,7aα)-6α-[6-O-(4-Hydroxybenzoyl)-β-D-glucopyranosyloxy]-7β-methyloctahydrocyclopenta[c]pyran-1-one

(4aα,6S,7aα)-6α-[6-O-(4-ヒドロキシベンゾイル)-β-D-グルコピラノシルオキシ]-7β-メチルオクタヒドロシクロペンタ[c]ピラン-1-オン
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： C22H28O10
Molecular formula furigana： C22-H28-O10
Molecular weight： 452.456
InChI： InChI=1S/C22H28O10/c1-10-14(8-12-6-7-29-21(28)16(10)12)31-22-19(26)18(25)17(24)15(32-22)9-30-20(27)11-2-4-13(23)5-3-11/h2-5,10,12,14-19,22-26H,6-9H2,1H3/t10-,12+,14+,15-,16-,17-,18+,19-,22-/m1/s1
InChI key： DEDRXCYIYLIKTC-SXFLQUOHSA-N
SMILES： C[C@@H]1[C@H](C[C@@H]2CCOC(=O)[C@H]12)O[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 1-O-[(4aα,6S,7aα)-1-オキソ-7β-メチルオクタヒドロシクロペンタ[c]ピラン-6α-イル]-β-D-グルコピラノース6-(4-ヒドロキシベンゾアート)
  • (4aα,6S,7aα)-6α-[6-O-(4-ヒドロキシベンゾイル)-β-D-グルコピラノシルオキシ]-7β-メチルオクタヒドロシクロペンタ[c]ピラン-1-オン
  • [(2R,3S,4S,5R,6R)-6-{[(4aS,6S,7S,7aS)-7-メチル-1-オキソ-オクタヒドロシクロペンタ[c]ピラン-6-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メチル 4-ヒドロキシベンゾアート
  • [(2R,3S,4S,5R,6R)-6-{[(4aS,6S,7S,7aS)-7-methyl-1-oxo-octahydrocyclopenta[c]pyran-6-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
Other name (2)：
  • 1-O-[(4aα,6S,7aα)-1-Oxo-7β-methyloctahydrocyclopenta[c]pyran-6α-yl]-β-D-glucopyranose 6-(4-hydroxybenzoate)
  • (4aα,6S,7aα)-6α-[6-O-(4-Hydroxybenzoyl)-β-D-glucopyranosyloxy]-7β-methyloctahydrocyclopenta[c]pyran-1-one
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM