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Substance Name: Estriol 3-glucuronide
RN: 2479-91-6
InChIKey: UZKIAJMSMKLBQE-JRSYHJKYSA-N

Molecular Weight

  • 464.5078
 
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Names and Synonyms

Name of Substance

  • Estriol 3-glucuronide

Systematic Name

  • (16alpha,17beta)-16,17-Dihydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid

Registry Numbers

CAS Registry Number

  • 2479-91-6

System Generated Number

  • 0002479916

Structure Descriptors

InChI

InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1

InChIKey

UZKIAJMSMKLBQE-JRSYHJKYSA-N

Smiles

C[C@]12CC[C@H]3[C@@H](CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O