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Substance Name: Estriol 3-sulfate 16-glucuronide
RN: 4661-65-8
InChIKey: ATNWFRGUDKUYOG-SUPAOECSSA-N

Note

  • Estriol conjugate.

Molecular Formula

  • C24-H32-O12-S

Molecular Weight

  • 544.571
 
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Names and Synonyms

Name of Substance

  • Estriol 3-sulfate 16-glucuronide

Synonyms

  • Estriol-3-sulfate-16-glucosiduronate
  • Estriol-3-sulfate-16alpha-glucosiduronate

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (16alpha,17beta)-17-hydroxy-3-(sulfooxy)estra-1,3,5(10)-trien-16-yl

Registry Numbers

CAS Registry Number

  • 4661-65-8

System Generated Number

  • 0004661658

Structure Descriptors

InChI

1S/C24H32O12S/c1-24-7-6-13-12-5-3-11(36-37(31,32)33)8-10(12)2-4-14(13)15(24)9-16(21(24)28)34-23-19(27)17(25)18(26)20(35-23)22(29)30/h3,5,8,13-21,23,25-28H,2,4,6-7,9H2,1H3,(H,29,30)(H,31,32,33)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23?,24+/m1/s1

InChIKey

ATNWFRGUDKUYOG-SUPAOECSSA-N

Smiles

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