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Substance Name: Quinovin
RN: 107870-05-3
UNII: 5655DJH94B
InChIKey: PUOQHFWXBKTHST-DLCGLXBKSA-N

Molecular Formula

  • C36-H56-O9

Molecular Weight

  • 632.8294
 
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Names and Synonyms

Name of Substance

  • Quinovin

Synonyms

  • 3-O-(beta-D-Quinovopyranosyl)quinovic acid
  • Chinovin
  • Quinova-bitter
  • Quinovin
  • Quinovin [MI]
  • UNII-5655DJH94B
  • URS-12-ENE-27,28-dioic acid, 3-((6-deoxy-beta-D-glucopyranosyl)oxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 107870-05-3

FDA UNII

  • 5655DJH94B

System Generated Number

  • 0107870053

Structure Descriptors

InChI

1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)/t18-,19+,20-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1

InChIKey

PUOQHFWXBKTHST-DLCGLXBKSA-N

Smiles

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O