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Substance Name: Estriol-16alpha-(beta-D-glucuronide)
RN: 1852-50-2
InChIKey: FQYGGFDZJFIDPU-JRSYHJKYSA-N

Molecular Formula

  • C24-H32-O9

Molecular Weight

  • 464.508
 
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Names and Synonyms

Name of Substance

  • Estriol-16alpha-(beta-D-glucuronide)

Synonyms

  • 3,17beta-Dihydroxy-1,3,5(10)-estratrien-16alpha-yl-beta-D-glucopyranosiduronic acid
  • Estriol-16-glucosiduronate
  • Estriol-16alpha-glucuronide
  • NSC 93823
  • Oestriol-16alpha-glucuronide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1852-50-2

System Generated Number

  • 0001852502

Structure Descriptors

InChI

1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/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

FQYGGFDZJFIDPU-JRSYHJKYSA-N

Smiles

O1[C@@H](O[C@H]2[C@@H]([C@@]3(CC[C@H]4[C@H]([C@H]3C2)CCc2c4ccc(c2)O)C)O)[C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O)O)O