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Substance Name: 6-(4-(beta-D-Glucopyranosyloxy)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid, (4E)-
RN: 55533-52-3
UNII: A63Y3157JG
InChIKey: PXWZKGRCFSHAMN-OVUIAQIESA-N

Molecular Formula

  • C23-H30-O11

Molecular Weight

  • 482.479
 
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Names and Synonyms

Name of Substance

  • 6-(4-(beta-D-Glucopyranosyloxy)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid, (4E)-

Synonyms

  • 4-Hexenoic acid, 6-(4-(beta-D-glucopyranosyloxy)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)-
  • 6-(4-(beta-D-Glucopyranosyloxy)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid, (4E)-
  • UNII-A63Y3157JG

Registry Numbers

CAS Registry Number

  • 55533-52-3

FDA UNII

  • A63Y3157JG

System Generated Number

  • 0055533523

Structure Descriptors

InChI

InChI=1S/C23H30O11/c1-10(5-7-15(25)26)4-6-12-20(31-3)11(2)13-9-32-22(30)16(13)21(12)34-23-19(29)18(28)17(27)14(8-24)33-23/h4,14,17-19,23-24,27-29H,5-9H2,1-3H3,(H,25,26)/b10-4+/t14-,17-,18+,19-,23+/m1/s1

InChIKey

PXWZKGRCFSHAMN-OVUIAQIESA-N

Smiles

COc1c(C)c2COC(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C\C=C(/C)\CCC(=O)O