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Substance Name: Isoscutellarein-7-O-(allosyl(1-2)glucoside)
RN: 96627-12-2
InChIKey: PTKNECMMKRDZEG-KHMFPJBWSA-N

Note

  • From Sideritis leucantha.

Molecular Formula

  • C27-H30-O16

Molecular Weight

  • 610.518
 
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Names and Synonyms

Name of Substance

  • Isoscutellarein-7-O-(allosyl(1-2)glucoside)

Synonyms

  • 7-((2-O-beta-D-allopyranosyl-beta-D-glucopyranosyl)oxy)-5,8-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • ISCAG

Systematic Name

  • 4H-1-Benzopyran-4-one, 7-((2-O-beta-D-allopyranosyl-beta-D-glucopyranosyl)oxy)-5,8-dihydroxy-2-(4-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 96627-12-2

System Generated Number

  • 0096627122

Structure Descriptors

InChI

1S/C27H30O16/c28-7-15-18(33)21(36)23(38)26(41-15)43-25-22(37)19(34)16(8-29)42-27(25)40-14-6-12(32)17-11(31)5-13(39-24(17)20(14)35)9-1-3-10(30)4-2-9/h1-6,15-16,18-19,21-23,25-30,32-38H,7-8H2/t15-,16-,18-,19-,21-,22+,23-,25?,26+,27-/m1/s1

InChIKey

PTKNECMMKRDZEG-KHMFPJBWSA-N

Smiles

O1[C@H](CO)[C@H]([C@@H]([C@@H]([C@@H]1Oc1cc(c2c(c1O)oc(cc2=O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@@H]([C@H](O)[C@H](O1)CO)O)O)O)O