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Substance Name: Scoparin heptaacetate
RN: 65725-04-4
UNII: 7P9U029D1O
InChIKey: WRBBCEWBHQVVTL-HDTFRHKVSA-N

Molecular Weight

  • 756.6624
 
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Names and Synonyms

Name of Substance

  • Scoparin heptaacetate

Synonyms

  • 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-(4-(acetyloxy)-3-methoxyphenyl)-8-(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl)-
  • Scoparin heptaacetate [MI]
  • Scoparin, heptaacetate
  • UNII-7P9U029D1O

Registry Numbers

CAS Registry Number

  • 65725-04-4

FDA UNII

  • 7P9U029D1O

System Generated Number

  • 0065725044

Structure Descriptors

InChI

1S/C36H36O18/c1-15(37)46-14-29-32(50-19(5)41)35(51-20(6)42)36(52-21(7)43)34(54-29)31-28(49-18(4)40)13-27(48-17(3)39)30-23(44)12-25(53-33(30)31)22-9-10-24(47-16(2)38)26(11-22)45-8/h9-13,29,32,34-36H,14H2,1-8H3/t29-,32-,34+,35+,36+/m1/s1

InChIKey

WRBBCEWBHQVVTL-HDTFRHKVSA-N

Smiles

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)c2c(cc(c3c2oc(cc3=O)c4ccc(c(c4)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C