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Substance Name: Pseudobaptisin
RN: 25776-06-1
UNII: 652A9R3D47
InChIKey: BYSWVDZWRHOULM-YSKKJLAQSA-N

Molecular Formula

  • C28-H30-O14

Molecular Weight

  • 590.531
 
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Names and Synonyms

Results Name

  • Pseudobaptisin

Name of Substance

  • Pseudobaptigenin 7-rhamnoglucoside

Synonyms

  • NSC 127487
  • Pseudobaptisin
  • Pseudobaptisine
  • UNII-652A9R3D47

Systematic Name

  • 3-(1,3-Benzodioxol-5-yl)-4-oxo-4H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside

Registry Numbers

CAS Registry Number

  • 25776-06-1

FDA UNII

  • 652A9R3D47

System Generated Number

  • 0025776061

Structure Descriptors

InChI

1S/C28H30O14/c1-11-20(29)23(32)25(34)27(40-11)37-9-19-22(31)24(33)26(35)28(42-19)41-13-3-4-14-17(7-13)36-8-15(21(14)30)12-2-5-16-18(6-12)39-10-38-16/h2-8,11,19-20,22-29,31-35H,9-10H2,1H3/t11-,19+,20-,22+,23+,24-,25+,26+,27+,28+/m0/s1

InChIKey

BYSWVDZWRHOULM-YSKKJLAQSA-N

Smiles

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc4C(=O)C(=COc4c3)c5ccc6OCOc6c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O