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Substance Name: Rothindin
RN: 63347-43-3
InChIKey: GWACEFYEIOPAJV-MIUGBVLSSA-N

Molecular Formula

  • C22-H20-O10

Molecular Weight

  • 444.39
 
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Names and Synonyms

Results Name

  • Rothindin

Synonyms

  • 7-beta-D-Glucosyloxy-psi-baptigenine
  • Rothindin

Systematic Name

  • 4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-7-(beta-D-glucopyranosyloxy)-

Registry Numbers

CAS Registry Number

  • 63347-43-3

System Generated Number

  • 0063347433

Structure Descriptors

InChI

1S/C22H20O10/c23-7-17-19(25)20(26)21(27)22(32-17)31-11-2-3-12-15(6-11)28-8-13(18(12)24)10-1-4-14-16(5-10)30-9-29-14/h1-6,8,17,19-23,25-27H,7,9H2/t17-,19-,20+,21-,22-/m1/s1

InChIKey

GWACEFYEIOPAJV-MIUGBVLSSA-N

Smiles

c1cc2c(cc1c3coc4cc(ccc4c3=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OCO2