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Substance Name: Estriol glucuronide
RN: 28808-07-3
InChIKey: UZKIAJMSMKLBQE-SUPAOECSSA-N

Molecular Formula

  • C24-H32-O9

Molecular Weight

  • 464.508
 
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Names and Synonyms

Name of Substance

  • Estriol glucuronide

Synonym

  • Oestriol glucuronide

Systematic Name

  • beta-D-Glucopyranuronic acid, monoglycoside with (16alpha,17beta)-estra-1,3,5(10)-triene-3,16,17-triol

Registry Numbers

CAS Registry Number

  • 28808-07-3

System Generated Number

  • 0028808073

Structure Descriptors

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-SUPAOECSSA-N

Smiles

c1(ccc2[C@H]3CC[C@@]4([C@H]([C@@H](C[C@@H]4[C@@H]3CCc2c1)O)O)C)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O