Chem
J-GLOBAL ID：200907030633104359   Nikkaji number：J339.289I

Pedunculagin

ペズンクラギン
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： C34H24O22
Molecular formula furigana： C34-H24-O22
Molecular weight： 784.544
InChI： InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1
InChI key： IYMHVUYNBVWXKH-ZITZVVOASA-N
SMILES： OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12
Systematic name  (1)：
  • 2-O,3-O:4-O,6-O-ビス[(aS)-2,2′,3,3′,4,4′-ヘキサヒドロキシ[1,1′-ビフェニル]-6,6′-ジイルビス(カルボニル)]-D-グルコピラノース
Other name (3)：
  • Pedunculagin
  • ペズンクラギン
  • 2-O,3-O:4-O,6-O-Bis[(aS)-2,2′,3,3′,4,4′-hexahydroxy[1,1′-biphenyl]-6,6′-diylbis(carbonyl)]-D-glucopyranose
CAS registry number： 7045-42-3
KEGG COMPOUND： C10236
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM