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Substance Name: 9H-Xanthen-9-one, 1,8-dihydroxy-5-(beta-D-glucopyranosyloxy)-3-methoxy-
RN: 53734-78-4
InChIKey: TYODMTITEULVMF-DIKOWXHZSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C20-H20-O11

Molecular Weight

  • 436.367
 
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Names and Synonyms

Synonyms

  • 1,8-Dihydroxy-5-(beta-D-glucopyranosyloxy)-3-methoxy-9H-xanthen-9-one
  • Bellidifoloside
  • Isoswertianolin

Systematic Name

  • 9H-Xanthen-9-one, 1,8-dihydroxy-5-(beta-D-glucopyranosyloxy)-3-methoxy-

Registry Numbers

CAS Registry Number

  • 53734-78-4

System Generated Number

  • 0053734784

Structure Descriptors

InChI

1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-10(3-2-8(22)14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20-/m1/s1

InChIKey

TYODMTITEULVMF-DIKOWXHZSA-N

Smiles

COc1cc(c2c(c1)oc3c(ccc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD intraperitoneal > 200mg/kg (200mg/kg)   Journal of Pharmaceutical Sciences. Vol. 63, Pg. 1286, 1974.